4-chloro-N-methyl-N-phenylbutanamide

C11H14ClNO — CID 16780864

IUPAC4-chloro-N-methyl-N-phenylbutanamide
SMILESCN(C(=O)CCCCl)c1ccccc1
InChIInChI=1S/C11H14ClNO/c1-13(11(14)8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyONFLCMFDSFTMPA-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.67
Rot. Bonds4

About 4-chloro-N-methyl-N-phenylbutanamide

4-chloro-N-methyl-N-phenylbutanamide (PubChem CID 16780864) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-phenylbutanamide
PubChem CID16780864
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-chloro-N-methyl-N-phenylbutanamide
SMILESCN(C(=O)CCCCl)c1ccccc1
InChIInChI=1S/C11H14ClNO/c1-13(11(14)8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyONFLCMFDSFTMPA-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methyl-N-(4-methylphenyl)butanamide
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N-methyl-N-phenylnonanamide
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3-hydroxy-N-methyl-N-phenylpropanamide
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2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide
CID 15344
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
CID 28971596
2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
CID 10967781
3-chloro-N,N-diphenylpropanamide
CID 3331408
ethane;N-methyl-N-phenylpent-4-ynamide
CID 90714881
11-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-phenylundecanamide
CID 17035156
N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10733166
5-(4-methoxyphenyl)-N-methyl-5-oxo-N-phenylpentanamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-phenylbutanamide?
The IUPAC name of 4-chloro-N-methyl-N-phenylbutanamide (CID 16780864) is 4-chloro-N-methyl-N-phenylbutanamide.
What is the SMILES notation for 4-chloro-N-methyl-N-phenylbutanamide?
The canonical SMILES for 4-chloro-N-methyl-N-phenylbutanamide is CN(C(=O)CCCCl)c1ccccc1.
What is the InChIKey of 4-chloro-N-methyl-N-phenylbutanamide?
The InChIKey is ONFLCMFDSFTMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-13(11(14)8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-phenylbutanamide?
4-chloro-N-methyl-N-phenylbutanamide has a molecular weight of 211.69 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 16780864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).