2-(4-chloro-2-methoxy-5-methylanilino)butanamide

C12H17ClN2O2 — CID 55133159

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)butanamide
SMILESCCC(Nc1cc(C)c(Cl)cc1OC)C(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-4-9(12(14)16)15-10-5-7(2)8(13)6-11(10)17-3/h5-6,9,15H,4H2,1-3H3,(H2,14,16)
InChIKeyFQHYGCWIRQGLDJ-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.33
Rot. Bonds5

About 2-(4-chloro-2-methoxy-5-methylanilino)butanamide

2-(4-chloro-2-methoxy-5-methylanilino)butanamide (PubChem CID 55133159) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)butanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)butanamide
PubChem CID55133159
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)butanamide
SMILESCCC(Nc1cc(C)c(Cl)cc1OC)C(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-4-9(12(14)16)15-10-5-7(2)8(13)6-11(10)17-3/h5-6,9,15H,4H2,1-3H3,(H2,14,16)
InChIKeyFQHYGCWIRQGLDJ-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-chloro-2-methoxy-5-methylanilino)butanoate
CID 113219787
2-(2,4,5-trichloroanilino)butanamide
CID 62901359
2-(2,4-dibromo-5-methoxyanilino)butanamide
CID 103413422
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
methyl 2-(2-bromo-5-chloro-4-methylanilino)butanoate
CID 113445425
N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
CID 108528740
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
CID 104683435
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108526393

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)butanamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)butanamide (CID 55133159) is 2-(4-chloro-2-methoxy-5-methylanilino)butanamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)butanamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)butanamide is CCC(Nc1cc(C)c(Cl)cc1OC)C(N)=O.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)butanamide?
The InChIKey is FQHYGCWIRQGLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-4-9(12(14)16)15-10-5-7(2)8(13)6-11(10)17-3/h5-6,9,15H,4H2,1-3H3,(H2,14,16).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)butanamide?
2-(4-chloro-2-methoxy-5-methylanilino)butanamide has a molecular weight of 256.73 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)butanamide is sourced from PubChem (CID 55133159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).