5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide

C14H19FN2O2 — CID 62527413

IUPAC5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESNc1ccc(F)c(C(=O)NC2(CO)CCCCC2)c1
InChIInChI=1S/C14H19FN2O2/c15-12-5-4-10(16)8-11(12)13(19)17-14(9-18)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7,9,16H2,(H,17,19)
InChIKeyXQEYIPSNMNQCSH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.83
Rot. Bonds3

About 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide

5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 62527413) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID62527413
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESNc1ccc(F)c(C(=O)NC2(CO)CCCCC2)c1
InChIInChI=1S/C14H19FN2O2/c15-12-5-4-10(16)8-11(12)13(19)17-14(9-18)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7,9,16H2,(H,17,19)
InChIKeyXQEYIPSNMNQCSH-UHFFFAOYSA-N
XLogP1.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide 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

5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62523774
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
3-amino-2,5-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 107120995
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62520565
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (CID 62527413) is 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is Nc1ccc(F)c(C(=O)NC2(CO)CCCCC2)c1.
What is the InChIKey of 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is XQEYIPSNMNQCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-5-4-10(16)8-11(12)13(19)17-14(9-18)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7,9,16H2,(H,17,19).
What are the key properties of 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 62527413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).