2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

C23H23ClN2O3 — CID 24565249

IUPAC2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C23H23ClN2O3/c1-28-20-14-21(29-2)19(13-18(20)24)26-22(27)15-25-23(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,23,25H,15H2,1-2H3,(H,26,27)
InChIKeyQVJRHISHKWEMHI-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.67
Rot. Bonds8

About 2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (PubChem CID 24565249) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
PubChem CID24565249
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C23H23ClN2O3/c1-28-20-14-21(29-2)19(13-18(20)24)26-22(27)15-25-23(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,23,25H,15H2,1-2H3,(H,26,27)
InChIKeyQVJRHISHKWEMHI-UHFFFAOYSA-N
XLogP4.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9101632
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871
N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
CID 2220274
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60537329
(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
N-(5-acetamido-2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8641820
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 35678379
N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 51310881

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (CID 24565249) is 2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is COc1cc(OC)c(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of 2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The InChIKey is QVJRHISHKWEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-28-20-14-21(29-2)19(13-18(20)24)26-22(27)15-25-23(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,23,25H,15H2,1-2H3,(H,26,27).
What are the key properties of 2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide has a molecular weight of 410.90 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 24565249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).