2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide

C14H19FN2O — CID 43371580

IUPAC2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)NCC1CCCCC1
InChIInChI=1S/C14H19FN2O/c15-11-6-7-13(16)12(8-11)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,16H2,(H,17,18)
InChIKeyFHPDAXHEIWUPNV-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.72
Rot. Bonds3

About 2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide

2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide (PubChem CID 43371580) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
PubChem CID43371580
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)NCC1CCCCC1
InChIInChI=1S/C14H19FN2O/c15-11-6-7-13(16)12(8-11)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,16H2,(H,17,18)
InChIKeyFHPDAXHEIWUPNV-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide
CID 60822341
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-5-fluorobenzamide
CID 81041232
3-amino-N-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
CID 61209356
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide (CID 43371580) is 2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide is Nc1ccc(F)cc1C(=O)NCC1CCCCC1.
What is the InChIKey of 2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide?
The InChIKey is FHPDAXHEIWUPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-11-6-7-13(16)12(8-11)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,16H2,(H,17,18).
What are the key properties of 2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide?
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide is sourced from PubChem (CID 43371580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).