N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide

C18H21ClN2O — CID 109007872

IUPACN-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(C(C)C)cc2)cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-12(2)14-5-8-15(9-6-14)20-11-18(22)21-16-7-4-13(3)17(19)10-16/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyWHJLZBPRSUVZLB-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.82
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide

N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide (PubChem CID 109007872) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
PubChem CID109007872
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(C(C)C)cc2)cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-12(2)14-5-8-15(9-6-14)20-11-18(22)21-16-7-4-13(3)17(19)10-16/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyWHJLZBPRSUVZLB-UHFFFAOYSA-N
XLogP4.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide 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

2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820101
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 7922738
N-(3-chloro-4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008673
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide
CID 46537886
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
2-(3-chloro-4-methylanilino)acetohydrazide
CID 865656
1-(3-chloro-4-methylphenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 17283512
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335572

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide (CID 109007872) is N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide is Cc1ccc(NC(=O)CNc2ccc(C(C)C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide?
The InChIKey is WHJLZBPRSUVZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12(2)14-5-8-15(9-6-14)20-11-18(22)21-16-7-4-13(3)17(19)10-16/h4-10,12,20H,11H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide has a molecular weight of 316.83 g/mol, XLogP of 4.82, 5 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)-2-(4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 109007872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).