2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide

C13H17ClN2O — CID 43083917

IUPAC2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
SMILESCc1ccc(NC(C)C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-8-3-6-12(11(14)7-8)15-9(2)13(17)16-10-4-5-10/h3,6-7,9-10,15H,4-5H2,1-2H3,(H,16,17)
InChIKeyFJHCFERATZRNGI-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.73
Rot. Bonds4

About 2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide

2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide (PubChem CID 43083917) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
PubChem CID43083917
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
SMILESCc1ccc(NC(C)C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-8-3-6-12(11(14)7-8)15-9(2)13(17)16-10-4-5-10/h3,6-7,9-10,15H,4-5H2,1-2H3,(H,16,17)
InChIKeyFJHCFERATZRNGI-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide
CID 113407706
N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
CID 2475002
2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81280708
2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide
CID 113406572

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide (CID 43083917) is 2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide is Cc1ccc(NC(C)C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide?
The InChIKey is FJHCFERATZRNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8-3-6-12(11(14)7-8)15-9(2)13(17)16-10-4-5-10/h3,6-7,9-10,15H,4-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide?
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide has a molecular weight of 252.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 43083917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).