N-(3-chloro-2-methylphenyl)-3-methoxybutanamide

C12H16ClNO2 — CID 47091350

IUPACN-(3-chloro-2-methylphenyl)-3-methoxybutanamide
SMILESCOC(C)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H16ClNO2/c1-8(16-3)7-12(15)14-11-6-4-5-10(13)9(11)2/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyRINXDSMPEDILED-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.01
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-methoxybutanamide

N-(3-chloro-2-methylphenyl)-3-methoxybutanamide (PubChem CID 47091350) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-methoxybutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-methoxybutanamide
PubChem CID47091350
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(3-chloro-2-methylphenyl)-3-methoxybutanamide
SMILESCOC(C)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H16ClNO2/c1-8(16-3)7-12(15)14-11-6-4-5-10(13)9(11)2/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyRINXDSMPEDILED-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-2-methylphenyl)-3-methoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 60663281
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
1-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxybutanoyl]amino]urea
CID 7477338
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831753
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
(2S)-4-(3-chloro-2-methylanilino)-2-[[(2S)-2-hydroxypropyl]amino]-4-oxobutanoic acid
CID 7591713
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
methyl 3-(3-chloro-2-methylanilino)butanoate
CID 43536622

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-methoxybutanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-methoxybutanamide (CID 47091350) is N-(3-chloro-2-methylphenyl)-3-methoxybutanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-methoxybutanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-methoxybutanamide is COC(C)CC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-methoxybutanamide?
The InChIKey is RINXDSMPEDILED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(16-3)7-12(15)14-11-6-4-5-10(13)9(11)2/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-methoxybutanamide?
N-(3-chloro-2-methylphenyl)-3-methoxybutanamide has a molecular weight of 241.72 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-methoxybutanamide is sourced from PubChem (CID 47091350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).