3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide

C18H19ClN2O2 — CID 34577318

IUPAC3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide
SMILESCc1ccc(CCC(=O)Nc2cccc(C(N)=O)c2C)cc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-11-6-7-13(10-15(11)19)8-9-17(22)21-16-5-3-4-14(12(16)2)18(20)23/h3-7,10H,8-9H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyFEIFVBPLYFFORI-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.63
Rot. Bonds5

About 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide

3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide (PubChem CID 34577318) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide
PubChem CID34577318
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide
SMILESCc1ccc(CCC(=O)Nc2cccc(C(N)=O)c2C)cc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-11-6-7-13(10-15(11)19)8-9-17(22)21-16-5-3-4-14(12(16)2)18(20)23/h3-7,10H,8-9H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyFEIFVBPLYFFORI-UHFFFAOYSA-N
XLogP3.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
CID 34755714
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
CID 18124058
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
ethyl 2-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100593471
3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide
CID 87036675
3-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
CID 53279074
2-[3-(3-fluorophenyl)propanoylamino]benzamide
CID 110675454
2-[3-(3-chloro-4-methylphenyl)propanoylamino]thiophene-3-carboxylic acid
CID 43357356
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxybenzoate
CID 56577397
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide
CID 100593249

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide?
The IUPAC name of 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide (CID 34577318) is 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide?
The canonical SMILES for 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide is Cc1ccc(CCC(=O)Nc2cccc(C(N)=O)c2C)cc1Cl.
What is the InChIKey of 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide?
The InChIKey is FEIFVBPLYFFORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-11-6-7-13(10-15(11)19)8-9-17(22)21-16-5-3-4-14(12(16)2)18(20)23/h3-7,10H,8-9H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide?
3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide is sourced from PubChem (CID 34577318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).