1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide

C19H27FN2O2 — CID 109145063

IUPAC1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-2-3-12-21-18(23)15-6-8-16(9-7-15)19(24)22-13-14-4-10-17(20)11-5-14/h4-5,10-11,15-16H,2-3,6-9,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCZHBAERJSMJYSW-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.16
Rot. Bonds7

About 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide

1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109145063) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109145063
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-2-3-12-21-18(23)15-6-8-16(9-7-15)19(24)22-13-14-4-10-17(20)11-5-14/h4-5,10-11,15-16H,2-3,6-9,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCZHBAERJSMJYSW-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide 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

1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145059
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249
N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109145085
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
4-N-(2,6-dimethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148442

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109145063) is 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is CCCCNC(=O)C1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is CZHBAERJSMJYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-2-3-12-21-18(23)15-6-8-16(9-7-15)19(24)22-13-14-4-10-17(20)11-5-14/h4-5,10-11,15-16H,2-3,6-9,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 334.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).