2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform

C35H42F5N3O6 — CID 177027469

IUPAC2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform
SMILESCOc1ccc(CN(C)C)c(OC)c1.FC(F)F.O=C(NC(Cc1cccc2c1CCC2)C(=O)O)c1c(F)cc(N2CCOCC2)cc1F
InChIInChI=1S/C23H24F2N2O4.C11H17NO2.CHF3/c24-18-12-16(27-7-9-31-10-8-27)13-19(25)21(18)22(28)26-20(23(29)30)11-15-5-1-3-14-4-2-6-17(14)15;1-12(2)8-9-5-6-10(13-3)7-11(9)14-4;2-1(3)4/h1,3,5,12-13,20H,2,4,6-11H2,(H,26,28)(H,29,30);5-7H,8H2,1-4H3;1H
InChIKeyMKEOLMVPVAEKAH-UHFFFAOYSA-N
MW695.73 g/mol
LogP5.66
Rot. Bonds10

About 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform

2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform (PubChem CID 177027469) has the molecular formula C35H42F5N3O6 and a molecular weight of 695.73 g/mol. Its IUPAC name is 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform.

Molecular Properties

Compound Name2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform
PubChem CID177027469
Molecular FormulaC35H42F5N3O6
Molecular Weight695.73 g/mol
Exact Mass695.30
IUPAC Name2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform
SMILESCOc1ccc(CN(C)C)c(OC)c1.FC(F)F.O=C(NC(Cc1cccc2c1CCC2)C(=O)O)c1c(F)cc(N2CCOCC2)cc1F
InChIInChI=1S/C23H24F2N2O4.C11H17NO2.CHF3/c24-18-12-16(27-7-9-31-10-8-27)13-19(25)21(18)22(28)26-20(23(29)30)11-15-5-1-3-14-4-2-6-17(14)15;1-12(2)8-9-5-6-10(13-3)7-11(9)14-4;2-1(3)4/h1,3,5,12-13,20H,2,4,6-11H2,(H,26,28)(H,29,30);5-7H,8H2,1-4H3;1H
InChIKeyMKEOLMVPVAEKAH-UHFFFAOYSA-N
XLogP5.66
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.73
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform with MolForge

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Related Compounds

(2S)-2-[(2,6-difluoro-4-morpholin-5-id-4-ylbenzoyl)amino]-3-[(1S)-1-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-2,3-dihydro-1H-inden-4-yl]propanoic acid;fermium
CID 177027639
3-[3-[[6-[(dimethylamino)methyl]isoquinolin-8-yl]methyl]phenyl]-2-[(2-fluoro-6-methyl-4-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 177030793
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3,4-dihydro-2H-chromen-5-yl]propanoic acid
CID 146565603
2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-[3-(2,3-dihydrophthalazin-1-ylmethyl)phenyl]propanoic acid;fluoroform
CID 177030030
2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-[3-(1,6-naphthyridin-5-ylmethyl)phenyl]propanoic acid;fluoroform
CID 177029874
(2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(3-methoxy-6-methyl-2-pyridinyl)quinolin-5-yl]propanoic acid
CID 146615314
2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-[3-[(6-fluoroquinazolin-4-yl)methyl]phenyl]propanoic acid;fluoroform
CID 177029800
(2S)-3-[8-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-5-yl]-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid
CID 146615703
(2S)-2-[(2-cyclopropyl-6-fluorobenzoyl)amino]-3-[5-[3-[(dimethylamino)methyl]-2,6-dimethoxyphenyl]naphthalen-1-yl]propanoic acid
CID 170587253
(2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[7-(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)-1,3-dihydro-2-benzofuran-4-yl]propanoic acid
CID 158808324
lithium;(2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[4-(1,4,6-trimethyl-2-oxo-3-pyridinyl)naphthalen-1-yl]propanoic acid;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[4-(1,4,6-trimethyl-2-oxo-3-pyridinyl)naphthalen-1-yl]propanoate;oxolane;hydroxide
CID 159422282
2-[[2,6-difluoro-4-[3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(4,5-dimethylpyrimidin-2-yl)naphthalen-1-yl]propanoic acid
CID 146584683

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform?
The IUPAC name of 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform (CID 177027469) is 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform.
What is the SMILES notation for 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform?
The canonical SMILES for 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform is COc1ccc(CN(C)C)c(OC)c1.FC(F)F.O=C(NC(Cc1cccc2c1CCC2)C(=O)O)c1c(F)cc(N2CCOCC2)cc1F.
What is the InChIKey of 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform?
The InChIKey is MKEOLMVPVAEKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O4.C11H17NO2.CHF3/c24-18-12-16(27-7-9-31-10-8-27)13-19(25)21(18)22(28)26-20(23(29)30)11-15-5-1-3-14-4-2-6-17(14)15;1-12(2)8-9-5-6-10(13-3)7-11(9)14-4;2-1(3)4/h1,3,5,12-13,20H,2,4,6-11H2,(H,26,28)(H,29,30);5-7H,8H2,1-4H3;1H.
What are the key properties of 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform?
2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform has a molecular weight of 695.73 g/mol, XLogP of 5.66, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-4-morpholin-4-ylbenzoyl)amino]-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid;1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine;fluoroform is sourced from PubChem (CID 177027469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).