3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide

C11H15ClN2O2 — CID 82497353

IUPAC3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
SMILESCOc1cc(C)c(NC(=O)CCN)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7-5-10(16-2)8(12)6-9(7)14-11(15)3-4-13/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyRPAPTROJFHFKBV-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide

3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide (PubChem CID 82497353) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
PubChem CID82497353
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
SMILESCOc1cc(C)c(NC(=O)CCN)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7-5-10(16-2)8(12)6-9(7)14-11(15)3-4-13/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyRPAPTROJFHFKBV-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
2-(5-chloro-4-methoxy-2-methylanilino)-2-oxoacetic acid
CID 82497514
1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375
N-(5-chloro-4-methoxy-2-methylphenyl)-2-hydroxypropanamide
CID 115140378
1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide
CID 115189599
N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
CID 115162783
ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate
CID 28538834
tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate
CID 69097022
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
N-(5-chloro-2-methoxy-4-methylphenyl)-3-cyanopropanamide
CID 115173505

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide (CID 82497353) is 3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide is COc1cc(C)c(NC(=O)CCN)cc1Cl.
What is the InChIKey of 3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide?
The InChIKey is RPAPTROJFHFKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-5-10(16-2)8(12)6-9(7)14-11(15)3-4-13/h5-6H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide?
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide has a molecular weight of 242.71 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 82497353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).