N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide

C24H22F2N2O3 — CID 40894967

IUPACN-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C24H22F2N2O3/c1-16(29)19-8-5-9-20(14-19)28-22(30)15-27-23(17-6-3-2-4-7-17)18-10-12-21(13-11-18)31-24(25)26/h2-14,23-24,27H,15H2,1H3,(H,28,30)/t23-/m0/s1
InChIKeyRWNOTQZMLUJEFB-QHCPKHFHSA-N
MW424.45 g/mol
LogP4.81
Rot. Bonds9

About N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide

N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide (PubChem CID 40894967) has the molecular formula C24H22F2N2O3 and a molecular weight of 424.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
PubChem CID40894967
Molecular FormulaC24H22F2N2O3
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC NameN-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C24H22F2N2O3/c1-16(29)19-8-5-9-20(14-19)28-22(30)15-27-23(17-6-3-2-4-7-17)18-10-12-21(13-11-18)31-24(25)26/h2-14,23-24,27H,15H2,1H3,(H,28,30)/t23-/m0/s1
InChIKeyRWNOTQZMLUJEFB-QHCPKHFHSA-N
XLogP4.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-acetylanilino)-2-oxoethyl]-4-(difluoromethoxy)benzamide
CID 7780383
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8830920
2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8830857
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
CID 8830778
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 33072186
N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 18088700
N-(3-cyanothiophen-2-yl)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720364
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720427
3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide
CID 34067115
(2S,3S)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099769

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide (CID 40894967) is N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide is CC(=O)c1cccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide?
The InChIKey is RWNOTQZMLUJEFB-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22F2N2O3/c1-16(29)19-8-5-9-20(14-19)28-22(30)15-27-23(17-6-3-2-4-7-17)18-10-12-21(13-11-18)31-24(25)26/h2-14,23-24,27H,15H2,1H3,(H,28,30)/t23-/m0/s1.
What are the key properties of N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide?
N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide has a molecular weight of 424.45 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide is sourced from PubChem (CID 40894967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).