4-chloro-N-(4-methoxy-3-methylphenyl)butanamide

C12H16ClNO2 — CID 63308381

IUPAC4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCCl)cc1C
InChIInChI=1S/C12H16ClNO2/c1-9-8-10(5-6-11(9)16-2)14-12(15)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyDERDGLDBVYDARO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.96
Rot. Bonds5

About 4-chloro-N-(4-methoxy-3-methylphenyl)butanamide

4-chloro-N-(4-methoxy-3-methylphenyl)butanamide (PubChem CID 63308381) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxy-3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
PubChem CID63308381
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCCl)cc1C
InChIInChI=1S/C12H16ClNO2/c1-9-8-10(5-6-11(9)16-2)14-12(15)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyDERDGLDBVYDARO-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-(4-methoxy-3-methylphenyl)pentanamide
CID 79208943
3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide
CID 55121493
tert-butyl 4-(4-methoxy-3-methylanilino)-4-oxobutanoate
CID 106707197
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide
CID 43470712
methyl 4-[4-(4-chlorobutanoylamino)-2-methylphenyl]benzoate
CID 18694219
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19191082
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
methyl 2-chloro-5-(4-chlorobutanoylamino)benzoate
CID 55204060
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
4-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]butanamide
CID 63308876

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxy-3-methylphenyl)butanamide?
The IUPAC name of 4-chloro-N-(4-methoxy-3-methylphenyl)butanamide (CID 63308381) is 4-chloro-N-(4-methoxy-3-methylphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(4-methoxy-3-methylphenyl)butanamide?
The canonical SMILES for 4-chloro-N-(4-methoxy-3-methylphenyl)butanamide is COc1ccc(NC(=O)CCCCl)cc1C.
What is the InChIKey of 4-chloro-N-(4-methoxy-3-methylphenyl)butanamide?
The InChIKey is DERDGLDBVYDARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9-8-10(5-6-11(9)16-2)14-12(15)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-N-(4-methoxy-3-methylphenyl)butanamide?
4-chloro-N-(4-methoxy-3-methylphenyl)butanamide has a molecular weight of 241.72 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxy-3-methylphenyl)butanamide is sourced from PubChem (CID 63308381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).