N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide

C18H20ClNO — CID 114300070

IUPACN-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(CCl)c2ccccc2)c1
InChIInChI=1S/C18H20ClNO/c1-14-6-5-7-15(12-14)10-11-18(21)20-17(13-19)16-8-3-2-4-9-16/h2-9,12,17H,10-11,13H2,1H3,(H,20,21)
InChIKeyCOYHZBVRBHKFMB-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.02
Rot. Bonds6

About N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide

N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide (PubChem CID 114300070) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide
PubChem CID114300070
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(CCl)c2ccccc2)c1
InChIInChI=1S/C18H20ClNO/c1-14-6-5-7-15(12-14)10-11-18(21)20-17(13-19)16-8-3-2-4-9-16/h2-9,12,17H,10-11,13H2,1H3,(H,20,21)
InChIKeyCOYHZBVRBHKFMB-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
N-(2-bromo-2-phenylethyl)-3-(3-methylphenyl)propanamide
CID 114308268
N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
CID 63754828
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 133187263
N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 60700309
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174
N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide
CID 113276046
N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
CID 115767191
N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
CID 43021863

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide (CID 114300070) is N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NC(CCl)c2ccccc2)c1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide?
The InChIKey is COYHZBVRBHKFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-14-6-5-7-15(12-14)10-11-18(21)20-17(13-19)16-8-3-2-4-9-16/h2-9,12,17H,10-11,13H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide?
N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide has a molecular weight of 301.82 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 114300070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).