N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide

C18H21ClN2O2 — CID 54822319

IUPACN-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H21ClN2O2/c1-12(2)23-16-8-6-15(7-9-16)20-11-18(22)21-17-10-14(19)5-4-13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyJRWFUQLFGMSBPF-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.49
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide

N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide (PubChem CID 54822319) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
PubChem CID54822319
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H21ClN2O2/c1-12(2)23-16-8-6-15(7-9-16)20-11-18(22)21-17-10-14(19)5-4-13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyJRWFUQLFGMSBPF-UHFFFAOYSA-N
XLogP4.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)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

3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840290
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008556
N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109039089
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834006
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide (CID 54822319) is N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide is Cc1ccc(Cl)cc1NC(=O)CNc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
The InChIKey is JRWFUQLFGMSBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12(2)23-16-8-6-15(7-9-16)20-11-18(22)21-17-10-14(19)5-4-13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide has a molecular weight of 332.83 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 54822319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).