N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide

C28H25FN2O5 — CID 6551039

IUPACN-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(c2ccccc2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccco2)cc1OC
InChIInChI=1S/C28H25FN2O5/c1-34-23-15-12-20(17-25(23)35-2)28(33)31(22-7-4-3-5-8-22)26(24-9-6-16-36-24)27(32)30-18-19-10-13-21(29)14-11-19/h3-17,26H,18H2,1-2H3,(H,30,32)/t26-/m0/s1
InChIKeyIPAOJBULCFOGLO-SANMLTNESA-N
MW488.52 g/mol
LogP5.14
Rot. Bonds9

About N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide

N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide (PubChem CID 6551039) has the molecular formula C28H25FN2O5 and a molecular weight of 488.52 g/mol. Its IUPAC name is N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide.

Molecular Properties

Compound NameN-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide
PubChem CID6551039
Molecular FormulaC28H25FN2O5
Molecular Weight488.52 g/mol
Exact Mass488.17
IUPAC NameN-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(c2ccccc2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccco2)cc1OC
InChIInChI=1S/C28H25FN2O5/c1-34-23-15-12-20(17-25(23)35-2)28(33)31(22-7-4-3-5-8-22)26(24-9-6-16-36-24)27(32)30-18-19-10-13-21(29)14-11-19/h3-17,26H,18H2,1-2H3,(H,30,32)/t26-/m0/s1
InChIKeyIPAOJBULCFOGLO-SANMLTNESA-N
XLogP5.14
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221752
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 51686578
N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 43811688
N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 3191316
4-amino-3-N-cyclohexyl-5-N-[2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 3190439
(2S)-N-benzyl-2-cyano-3-(3,4-dimethoxyphenyl)-3-oxopropanamide
CID 98449932
N-[2-(tert-butylamino)-1-(1H-indol-3-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide
CID 3190327
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 1441767
2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3210871
3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 78892722
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 3196884
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide?
The IUPAC name of N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide (CID 6551039) is N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide.
What is the SMILES notation for N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide?
The canonical SMILES for N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide is COc1ccc(C(=O)N(c2ccccc2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccco2)cc1OC.
What is the InChIKey of N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide?
The InChIKey is IPAOJBULCFOGLO-SANMLTNESA-N. The full InChI is InChI=1S/C28H25FN2O5/c1-34-23-15-12-20(17-25(23)35-2)28(33)31(22-7-4-3-5-8-22)26(24-9-6-16-36-24)27(32)30-18-19-10-13-21(29)14-11-19/h3-17,26H,18H2,1-2H3,(H,30,32)/t26-/m0/s1.
What are the key properties of N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide?
N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide has a molecular weight of 488.52 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide is sourced from PubChem (CID 6551039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).