3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide

C17H18ClNO — CID 38089852

IUPAC3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO/c1-13-6-8-14(9-7-13)12-19-17(20)11-10-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyPUWMFZQTNBGBFT-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.90
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide

3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 38089852) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID38089852
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO/c1-13-6-8-14(9-7-13)12-19-17(20)11-10-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyPUWMFZQTNBGBFT-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide
CID 17179143
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
4-(2-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]butanamide
CID 110625400
3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 36913411
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53058845
N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 53033046
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide
CID 60739656
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896
3-(2-chlorophenyl)-N-(2-methylprop-2-enyl)propanamide
CID 114618383

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide (CID 38089852) is 3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is PUWMFZQTNBGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-13-6-8-14(9-7-13)12-19-17(20)11-10-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide?
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 287.79 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 38089852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).