3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide

C18H21ClN2O — CID 109020148

IUPAC3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide
SMILESCc1ccc(Cl)cc1NCCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-13-8-9-16(19)12-17(13)20-11-10-18(22)21-14(2)15-6-4-3-5-7-15/h3-9,12,14,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyWRSMQBBFBPQTCX-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.33
Rot. Bonds6

About 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide

3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide (PubChem CID 109020148) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide
PubChem CID109020148
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide
SMILESCc1ccc(Cl)cc1NCCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-13-8-9-16(19)12-17(13)20-11-10-18(22)21-14(2)15-6-4-3-5-7-15/h3-9,12,14,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyWRSMQBBFBPQTCX-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide
CID 109020135
5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
methyl 4-chloro-3-[[3-oxo-3-(1-phenylethylamino)propyl]amino]benzoate
CID 109020176
2-(5-chloro-2-methylanilino)-1-phenylethanol
CID 60721635
3-(5-chloro-2-methylanilino)-2-phenylpropanoic acid
CID 64566430
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide
CID 109020118
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide (CID 109020148) is 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide is Cc1ccc(Cl)cc1NCCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide?
The InChIKey is WRSMQBBFBPQTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13-8-9-16(19)12-17(13)20-11-10-18(22)21-14(2)15-6-4-3-5-7-15/h3-9,12,14,20H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide?
3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 109020148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).