3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide

C18H20ClNO — CID 42925205

IUPAC3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2ccccc2)cc1Cl
InChIInChI=1S/C18H20ClNO/c1-13-8-9-15(12-17(13)19)10-11-18(21)20-14(2)16-6-4-3-5-7-16/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)
InChIKeyHNITWUACRGURCP-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.46
Rot. Bonds5

About 3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide

3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide (PubChem CID 42925205) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
PubChem CID42925205
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2ccccc2)cc1Cl
InChIInChI=1S/C18H20ClNO/c1-13-8-9-15(12-17(13)19)10-11-18(21)20-14(2)16-6-4-3-5-7-16/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)
InChIKeyHNITWUACRGURCP-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 24642247
3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 30537602
3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418633
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)propanamide
CID 18143648
3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
CID 100597681
3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 100598401
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
(2S)-2-[3-(3-chloro-4-methylphenyl)propanoylamino]hexanoic acid
CID 107144182
3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(1-phenylethyl)propanamide
CID 135872250
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 133187263

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide (CID 42925205) is 3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide is Cc1ccc(CCC(=O)NC(C)c2ccccc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide?
The InChIKey is HNITWUACRGURCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-8-9-15(12-17(13)19)10-11-18(21)20-14(2)16-6-4-3-5-7-16/h3-9,12,14H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide?
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide has a molecular weight of 301.82 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42925205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).