3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide

C18H20ClNO — CID 98697568

IUPAC3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-13-7-9-15(10-8-13)14(2)20-18(21)12-11-16-5-3-4-6-17(16)19/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyZHKSFDAMUKNTSL-CQSZACIVSA-N
MW301.82 g/mol
LogP4.46
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide

3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide (PubChem CID 98697568) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
PubChem CID98697568
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-13-7-9-15(10-8-13)14(2)20-18(21)12-11-16-5-3-4-6-17(16)19/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyZHKSFDAMUKNTSL-CQSZACIVSA-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

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3-(2-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
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N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
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3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methylbutanoic acid
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CID 61102579
3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide (CID 98697568) is 3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide is Cc1ccc([C@@H](C)NC(=O)CCc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
The InChIKey is ZHKSFDAMUKNTSL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-7-9-15(10-8-13)14(2)20-18(21)12-11-16-5-3-4-6-17(16)19/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]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-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 98697568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).