4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide

C13H17FN2O — CID 60847748

IUPAC4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C13H17FN2O/c14-11-3-1-2-4-12(11)16-13(17)9-5-7-10(15)8-6-9/h1-4,9-10H,5-8,15H2,(H,16,17)
InChIKeyNFDFLKXJDNOXJK-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.28
Rot. Bonds2

About 4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide

4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 60847748) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID60847748
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C13H17FN2O/c14-11-3-1-2-4-12(11)16-13(17)9-5-7-10(15)8-6-9/h1-4,9-10H,5-8,15H2,(H,16,17)
InChIKeyNFDFLKXJDNOXJK-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide
CID 66009400
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 60849041
N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
CID 43580877
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 39453796
1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109148495
1-N-[2-(dimethylamino)ethyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147107
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide (CID 60847748) is 4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is NFDFLKXJDNOXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-3-1-2-4-12(11)16-13(17)9-5-7-10(15)8-6-9/h1-4,9-10H,5-8,15H2,(H,16,17).
What are the key properties of 4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide?
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60847748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).