4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide

C23H21ClN2O2 — CID 17230319

IUPAC4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-26(20-8-3-2-4-9-20)23(28)18-11-14-19(15-12-18)25-22(27)16-13-17-7-5-6-10-21(17)24/h2-12,14-15H,13,16H2,1H3,(H,25,27)
InChIKeyUQRTWGGSKJFWBM-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.19
Rot. Bonds6

About 4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide

4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide (PubChem CID 17230319) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
PubChem CID17230319
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-26(20-8-3-2-4-9-20)23(28)18-11-14-19(15-12-18)25-22(27)16-13-17-7-5-6-10-21(17)24/h2-12,14-15H,13,16H2,1H3,(H,25,27)
InChIKeyUQRTWGGSKJFWBM-UHFFFAOYSA-N
XLogP5.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 110633818
4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide
CID 43887660
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
CID 54833224
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide
CID 30296888
3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622808
N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide
CID 17179121
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
CID 17179035

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide (CID 17230319) is 4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1)c1ccccc1.
What is the InChIKey of 4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide?
The InChIKey is UQRTWGGSKJFWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-26(20-8-3-2-4-9-20)23(28)18-11-14-19(15-12-18)25-22(27)16-13-17-7-5-6-10-21(17)24/h2-12,14-15H,13,16H2,1H3,(H,25,27).
What are the key properties of 4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide?
4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide has a molecular weight of 392.89 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 17230319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).