N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide

C18H21ClN2O — CID 109024309

IUPACN-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
SMILESCc1ccc(NC(=O)CCNCCc2ccccc2)cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-14-7-8-16(13-17(14)19)21-18(22)10-12-20-11-9-15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3,(H,21,22)
InChIKeyHLEIYGOYLXPDAG-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.81
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide

N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide (PubChem CID 109024309) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
PubChem CID109024309
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
SMILESCc1ccc(NC(=O)CCNCCc2ccccc2)cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-14-7-8-16(13-17(14)19)21-18(22)10-12-20-11-9-15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3,(H,21,22)
InChIKeyHLEIYGOYLXPDAG-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide
CID 109015255
N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
CID 3383669
N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024328
(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6041509
N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
CID 3498149
(3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
CID 7324444
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(3-chloro-4-methoxyphenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025681
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
CID 63936302

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide (CID 109024309) is N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide is Cc1ccc(NC(=O)CCNCCc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide?
The InChIKey is HLEIYGOYLXPDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14-7-8-16(13-17(14)19)21-18(22)10-12-20-11-9-15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide?
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide has a molecular weight of 316.83 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide is sourced from PubChem (CID 109024309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).