3-(4-chloroanilino)-N-methylpropanamide

C10H13ClN2O — CID 10899951

IUPAC3-(4-chloroanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-12-10(14)6-7-13-9-4-2-8(11)3-5-9/h2-5,13H,6-7H2,1H3,(H,12,14)
InChIKeyVAASEDZEXVMHFW-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.89
Rot. Bonds4

About 3-(4-chloroanilino)-N-methylpropanamide

3-(4-chloroanilino)-N-methylpropanamide (PubChem CID 10899951) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-(4-chloroanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloroanilino)-N-methylpropanamide
PubChem CID10899951
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-(4-chloroanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-12-10(14)6-7-13-9-4-2-8(11)3-5-9/h2-5,13H,6-7H2,1H3,(H,12,14)
InChIKeyVAASEDZEXVMHFW-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[4-(trifluoromethyl)anilino]propanamide
CID 62326575
3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
3-(2-bromo-4-chloroanilino)-N-methylpropanamide
CID 81270766
3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
3-(4-chloroanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806981

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-N-methylpropanamide?
The IUPAC name of 3-(4-chloroanilino)-N-methylpropanamide (CID 10899951) is 3-(4-chloroanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(4-chloroanilino)-N-methylpropanamide?
The canonical SMILES for 3-(4-chloroanilino)-N-methylpropanamide is CNC(=O)CCNc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chloroanilino)-N-methylpropanamide?
The InChIKey is VAASEDZEXVMHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-12-10(14)6-7-13-9-4-2-8(11)3-5-9/h2-5,13H,6-7H2,1H3,(H,12,14).
What are the key properties of 3-(4-chloroanilino)-N-methylpropanamide?
3-(4-chloroanilino)-N-methylpropanamide has a molecular weight of 212.68 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-N-methylpropanamide is sourced from PubChem (CID 10899951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).