N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide

C19H29FN2O — CID 110444026

IUPACN-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
SMILESCN(CCCCCNC(=O)c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C19H29FN2O/c1-22(18-11-4-2-5-12-18)14-7-3-6-13-21-19(23)16-9-8-10-17(20)15-16/h8-10,15,18H,2-7,11-14H2,1H3,(H,21,23)
InChIKeyVQPHBCHYIPYSMQ-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.99
Rot. Bonds8

About N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide

N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide (PubChem CID 110444026) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
PubChem CID110444026
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC NameN-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
SMILESCN(CCCCCNC(=O)c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C19H29FN2O/c1-22(18-11-4-2-5-12-18)14-7-3-6-13-21-19(23)16-9-8-10-17(20)15-16/h8-10,15,18H,2-7,11-14H2,1H3,(H,21,23)
InChIKeyVQPHBCHYIPYSMQ-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide 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

N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
CID 110445656
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
CID 110442853
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
3-fluoro-N-octadecylbenzamide
CID 91711883
N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
CID 110443900
N-[3-[cyclohexyl(methyl)amino]propyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763751
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide
CID 110442921
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 20939988
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide?
The IUPAC name of N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide (CID 110444026) is N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide is CN(CCCCCNC(=O)c1cccc(F)c1)C1CCCCC1.
What is the InChIKey of N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide?
The InChIKey is VQPHBCHYIPYSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-22(18-11-4-2-5-12-18)14-7-3-6-13-21-19(23)16-9-8-10-17(20)15-16/h8-10,15,18H,2-7,11-14H2,1H3,(H,21,23).
What are the key properties of N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide?
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide has a molecular weight of 320.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide is sourced from PubChem (CID 110444026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).