3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide

C17H19ClN2O2 — CID 47824653

IUPAC3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1C
InChIInChI=1S/C17H19ClN2O2/c1-12-5-3-4-6-14(12)20-17(21)9-10-19-15-11-13(18)7-8-16(15)22-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyAQRPGMQOJJYSRZ-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.10
Rot. Bonds6

About 3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide

3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide (PubChem CID 47824653) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
PubChem CID47824653
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1C
InChIInChI=1S/C17H19ClN2O2/c1-12-5-3-4-6-14(12)20-17(21)9-10-19-15-11-13(18)7-8-16(15)22-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyAQRPGMQOJJYSRZ-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039100
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide (CID 47824653) is 3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide is COc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1C.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is AQRPGMQOJJYSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-5-3-4-6-14(12)20-17(21)9-10-19-15-11-13(18)7-8-16(15)22-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide?
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 318.80 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 47824653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).