2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide

C51H58F2N6O3 — CID 158363790

IUPAC2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide
SMILESCC(Cc1ccc(F)cc1)(NC(=O)CN)c1ccc(F)cc1.CCC(Cc1ccccc1)(NC(=O)CN)c1ccccc1.NCC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O.C17H18F2N2O.C16H18N2O/c1-2-18(20-17(21)14-19,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15;1-17(21-16(22)11-20,13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12;17-12-16(19)18-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h3-12H,2,13-14,19H2,1H3,(H,20,21);2-9H,10-11,20H2,1H3,(H,21,22);1-10,15H,11-12,17H2,(H,18,19)
InChIKeyGTTZMWYMNFZBRN-UHFFFAOYSA-N
MW841.06 g/mol
LogP7.15
Rot. Bonds16

About 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide

2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide (PubChem CID 158363790) has the molecular formula C51H58F2N6O3 and a molecular weight of 841.06 g/mol. Its IUPAC name is 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide
PubChem CID158363790
Molecular FormulaC51H58F2N6O3
Molecular Weight841.06 g/mol
Exact Mass840.45
IUPAC Name2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide
SMILESCC(Cc1ccc(F)cc1)(NC(=O)CN)c1ccc(F)cc1.CCC(Cc1ccccc1)(NC(=O)CN)c1ccccc1.NCC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O.C17H18F2N2O.C16H18N2O/c1-2-18(20-17(21)14-19,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15;1-17(21-16(22)11-20,13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12;17-12-16(19)18-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h3-12H,2,13-14,19H2,1H3,(H,20,21);2-9H,10-11,20H2,1H3,(H,21,22);1-10,15H,11-12,17H2,(H,18,19)
InChIKeyGTTZMWYMNFZBRN-UHFFFAOYSA-N
XLogP7.15
TPSA165.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500841.06
LogP ≤ 57.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide with MolForge

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Related Compounds

2-amino-N-[(2R)-1,2-diphenylpropan-2-yl]acetamide;hydrochloride
CID 76971010
(2S)-2-[(2-aminoacetyl)amino]-N-(1,2-diphenylpropan-2-yl)propanamide
CID 18635159
2-amino-N-[2-[1,2-bis(4-fluorophenyl)propan-2-ylamino]-2-oxoethyl]acetamide
CID 19848167
2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid
CID 3088651
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
2-amino-N-[2-(3-methoxyphenyl)-1-phenylpropan-2-yl]acetamide
CID 15115342
2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid
CID 67712356
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
2-amino-N-[1-(3-cyanophenyl)-2-phenylpropan-2-yl]acetamide
CID 15115334
2-methyl-2-[4-[2-phenyl-2-[(2-phenylacetyl)amino]ethyl]phenoxy]propanoic acid
CID 91349779
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide?
The IUPAC name of 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide (CID 158363790) is 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide.
What is the SMILES notation for 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide?
The canonical SMILES for 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide is CC(Cc1ccc(F)cc1)(NC(=O)CN)c1ccc(F)cc1.CCC(Cc1ccccc1)(NC(=O)CN)c1ccccc1.NCC(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide?
The InChIKey is GTTZMWYMNFZBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.C17H18F2N2O.C16H18N2O/c1-2-18(20-17(21)14-19,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15;1-17(21-16(22)11-20,13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12;17-12-16(19)18-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h3-12H,2,13-14,19H2,1H3,(H,20,21);2-9H,10-11,20H2,1H3,(H,21,22);1-10,15H,11-12,17H2,(H,18,19).
What are the key properties of 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide?
2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide has a molecular weight of 841.06 g/mol, XLogP of 7.15, 16 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide is sourced from PubChem (CID 158363790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).