4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide

C24H23ClN2O3 — CID 1041037

IUPAC4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)c1C
InChIInChI=1S/C24H23ClN2O3/c1-15-8-7-11-21(16(15)2)26-24(29)18-12-13-20(25)22(14-18)27-23(28)17(3)30-19-9-5-4-6-10-19/h4-14,17H,1-3H3,(H,26,29)(H,27,28)/t17-/m0/s1
InChIKeyTWWLOKISSDKWPI-KRWDZBQOSA-N
MW422.91 g/mol
LogP5.62
Rot. Bonds6

About 4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide

4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide (PubChem CID 1041037) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide
PubChem CID1041037
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)c1C
InChIInChI=1S/C24H23ClN2O3/c1-15-8-7-11-21(16(15)2)26-24(29)18-12-13-20(25)22(14-18)27-23(28)17(3)30-19-9-5-4-6-10-19/h4-14,17H,1-3H3,(H,26,29)(H,27,28)/t17-/m0/s1
InChIKeyTWWLOKISSDKWPI-KRWDZBQOSA-N
XLogP5.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 2856840
N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 4055440
4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 11839643
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 87004483
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179504

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide?
The IUPAC name of 4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide (CID 1041037) is 4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide.
What is the SMILES notation for 4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide?
The canonical SMILES for 4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide is Cc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)c1C.
What is the InChIKey of 4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide?
The InChIKey is TWWLOKISSDKWPI-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-15-8-7-11-21(16(15)2)26-24(29)18-12-13-20(25)22(14-18)27-23(28)17(3)30-19-9-5-4-6-10-19/h4-14,17H,1-3H3,(H,26,29)(H,27,28)/t17-/m0/s1.
What are the key properties of 4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide?
4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide has a molecular weight of 422.91 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide is sourced from PubChem (CID 1041037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).