N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide

C15H22ClNO — CID 114151356

IUPACN-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCCC(C)CCl)c1
InChIInChI=1S/C15H22ClNO/c1-12-5-3-7-14(9-12)10-15(18)17-8-4-6-13(2)11-16/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H,17,18)
InChIKeyCGXNAJSZAKYMQE-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.31
Rot. Bonds7

About N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide

N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide (PubChem CID 114151356) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide
PubChem CID114151356
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCCC(C)CCl)c1
InChIInChI=1S/C15H22ClNO/c1-12-5-3-7-14(9-12)10-15(18)17-8-4-6-13(2)11-16/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H,17,18)
InChIKeyCGXNAJSZAKYMQE-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866
N-(5-bromo-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 106157270
N-(6-bromohexyl)-2-(3-methylphenyl)acetamide
CID 107847492
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603
(2S)-2-hydroxy-4-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 107834540
N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
CID 106157251
2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide
CID 106156758
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62388737
N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide
CID 127120142
N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide (CID 114151356) is N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCCC(C)CCl)c1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide?
The InChIKey is CGXNAJSZAKYMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12-5-3-7-14(9-12)10-15(18)17-8-4-6-13(2)11-16/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide?
N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide has a molecular weight of 267.80 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 114151356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).