4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide

C20H28ClNO2 — CID 82259069

IUPAC4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(C(=O)C(C)Cl)cc2)CC1
InChIInChI=1S/C20H28ClNO2/c1-3-4-5-15-6-8-17(9-7-15)20(24)22-18-12-10-16(11-13-18)19(23)14(2)21/h10-15,17H,3-9H2,1-2H3,(H,22,24)
InChIKeyIEWWRLAPVYWKCQ-UHFFFAOYSA-N
MW349.90 g/mol
LogP5.43
Rot. Bonds7

About 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide

4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 82259069) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
PubChem CID82259069
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(C(=O)C(C)Cl)cc2)CC1
InChIInChI=1S/C20H28ClNO2/c1-3-4-5-15-6-8-17(9-7-15)20(24)22-18-12-10-16(11-13-18)19(23)14(2)21/h10-15,17H,3-9H2,1-2H3,(H,22,24)
InChIKeyIEWWRLAPVYWKCQ-UHFFFAOYSA-N
XLogP5.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.90
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259475
N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259804
4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 108737739
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide
CID 82254675
4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide
CID 41213174
4-[(4-ethylcyclohexanecarbonyl)amino]benzoate
CID 6991461
4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide
CID 107606787

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide (CID 82259069) is 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2ccc(C(=O)C(C)Cl)cc2)CC1.
What is the InChIKey of 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is IEWWRLAPVYWKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNO2/c1-3-4-5-15-6-8-17(9-7-15)20(24)22-18-12-10-16(11-13-18)19(23)14(2)21/h10-15,17H,3-9H2,1-2H3,(H,22,24).
What are the key properties of 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide?
4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 349.90 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 82259069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).