N'-(5-chloro-2-methoxyphenyl)butanediamide

C11H13ClN2O3 — CID 94271903

IUPACN'-(5-chloro-2-methoxyphenyl)butanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCC(N)=O
InChIInChI=1S/C11H13ClN2O3/c1-17-9-3-2-7(12)6-8(9)14-11(16)5-4-10(13)15/h2-3,6H,4-5H2,1H3,(H2,13,15)(H,14,16)
InChIKeyPTOVEIPDHXZZBM-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.55
Rot. Bonds5

About N'-(5-chloro-2-methoxyphenyl)butanediamide

N'-(5-chloro-2-methoxyphenyl)butanediamide (PubChem CID 94271903) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)butanediamide
PubChem CID94271903
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC NameN'-(5-chloro-2-methoxyphenyl)butanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCC(N)=O
InChIInChI=1S/C11H13ClN2O3/c1-17-9-3-2-7(12)6-8(9)14-11(16)5-4-10(13)15/h2-3,6H,4-5H2,1H3,(H2,13,15)(H,14,16)
InChIKeyPTOVEIPDHXZZBM-UHFFFAOYSA-N
XLogP1.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-(5-chloro-2-methoxyphenyl)butanediamide 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

ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide
CID 131958555
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
CID 103601683
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488552
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 9413379

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)butanediamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)butanediamide (CID 94271903) is N'-(5-chloro-2-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)butanediamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)butanediamide is COc1ccc(Cl)cc1NC(=O)CCC(N)=O.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)butanediamide?
The InChIKey is PTOVEIPDHXZZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-17-9-3-2-7(12)6-8(9)14-11(16)5-4-10(13)15/h2-3,6H,4-5H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)butanediamide?
N'-(5-chloro-2-methoxyphenyl)butanediamide has a molecular weight of 256.69 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)butanediamide is sourced from PubChem (CID 94271903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).