4-chloro-N-methyl-N-(4-methylphenyl)butanamide

C12H16ClNO — CID 63308688

IUPAC4-chloro-N-methyl-N-(4-methylphenyl)butanamide
SMILESCc1ccc(N(C)C(=O)CCCCl)cc1
InChIInChI=1S/C12H16ClNO/c1-10-5-7-11(8-6-10)14(2)12(15)4-3-9-13/h5-8H,3-4,9H2,1-2H3
InChIKeyLZLJRTLCULAGKC-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.98
Rot. Bonds4

About 4-chloro-N-methyl-N-(4-methylphenyl)butanamide

4-chloro-N-methyl-N-(4-methylphenyl)butanamide (PubChem CID 63308688) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(4-methylphenyl)butanamide
PubChem CID63308688
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-chloro-N-methyl-N-(4-methylphenyl)butanamide
SMILESCc1ccc(N(C)C(=O)CCCCl)cc1
InChIInChI=1S/C12H16ClNO/c1-10-5-7-11(8-6-10)14(2)12(15)4-3-9-13/h5-8H,3-4,9H2,1-2H3
InChIKeyLZLJRTLCULAGKC-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.98
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-phenylbutanamide
CID 16780864
5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
CID 28971596
3-(diethylamino)-N-methyl-N-(4-methylphenyl)propanamide
CID 58662059
2-amino-N-methyl-N-(4-methylphenyl)acetamide
CID 22617441
3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide
CID 141436970
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773
3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 62726677
N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 60622214
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
CID 107734249
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide
CID 118073272

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(4-methylphenyl)butanamide?
The IUPAC name of 4-chloro-N-methyl-N-(4-methylphenyl)butanamide (CID 63308688) is 4-chloro-N-methyl-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(4-methylphenyl)butanamide?
The canonical SMILES for 4-chloro-N-methyl-N-(4-methylphenyl)butanamide is Cc1ccc(N(C)C(=O)CCCCl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-(4-methylphenyl)butanamide?
The InChIKey is LZLJRTLCULAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-10-5-7-11(8-6-10)14(2)12(15)4-3-9-13/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-(4-methylphenyl)butanamide?
4-chloro-N-methyl-N-(4-methylphenyl)butanamide has a molecular weight of 225.72 g/mol, XLogP of 2.98, 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-(4-methylphenyl)butanamide is sourced from PubChem (CID 63308688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).