2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide

C14H16FN3O — CID 64824294

IUPAC2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCCCC1N
InChIInChI=1S/C14H16FN3O/c15-11-5-3-7-13(10(11)8-16)18-14(19)9-4-1-2-6-12(9)17/h3,5,7,9,12H,1-2,4,6,17H2,(H,18,19)
InChIKeyWMWOLQPJYHACIK-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.15
Rot. Bonds2

About 2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide

2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 64824294) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID64824294
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCCCC1N
InChIInChI=1S/C14H16FN3O/c15-11-5-3-7-13(10(11)8-16)18-14(19)9-4-1-2-6-12(9)17/h3,5,7,9,12H,1-2,4,6,17H2,(H,18,19)
InChIKeyWMWOLQPJYHACIK-UHFFFAOYSA-N
XLogP2.15
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 63041812
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
CID 43580743
N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
5-[(2-cyano-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687786
N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
CID 61276767
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide
CID 81496913
2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide (CID 64824294) is 2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide is N#Cc1c(F)cccc1NC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is WMWOLQPJYHACIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-11-5-3-7-13(10(11)8-16)18-14(19)9-4-1-2-6-12(9)17/h3,5,7,9,12H,1-2,4,6,17H2,(H,18,19).
What are the key properties of 2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide?
2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64824294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).