2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide

C18H21ClN2O — CID 109007918

IUPAC2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21ClN2O/c1-12(2)14-4-7-16(8-5-14)21-18(22)11-20-17-9-6-15(19)10-13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyPFZZYSKCGRNGMV-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.82
Rot. Bonds5

About 2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 109007918) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID109007918
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21ClN2O/c1-12(2)14-4-7-16(8-5-14)21-18(22)11-20-17-9-6-15(19)10-13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyPFZZYSKCGRNGMV-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

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Related Compounds

4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 26507194
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
2-(4-chloro-2-methylanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 26507119
2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide
CID 55898218
N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54819782
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 109007918) is 2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide is Cc1cc(Cl)ccc1NCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is PFZZYSKCGRNGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12(2)14-4-7-16(8-5-14)21-18(22)11-20-17-9-6-15(19)10-13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)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 2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 109007918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).