N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide

C17H25FN2O — CID 107333878

IUPACN-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2cc(N)cc(F)c2)CC1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)12-6-4-11(5-7-12)16(21)20-15-9-13(18)8-14(19)10-15/h8-12H,4-7,19H2,1-3H3,(H,20,21)
InChIKeyOABYHLGRKPPCMD-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.20
Rot. Bonds2

About N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide

N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 107333878) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide
PubChem CID107333878
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2cc(N)cc(F)c2)CC1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)12-6-4-11(5-7-12)16(21)20-15-9-13(18)8-14(19)10-15/h8-12H,4-7,19H2,1-3H3,(H,20,21)
InChIKeyOABYHLGRKPPCMD-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.20
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

N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107333937
N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
CID 130404848
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclohexane-1-carboxamide
CID 42982642
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694
1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide
CID 55979660
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 107334050
N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide
CID 124505704
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 18283208
N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 61252070

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide (CID 107333878) is N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)Nc2cc(N)cc(F)c2)CC1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is OABYHLGRKPPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-17(2,3)12-6-4-11(5-7-12)16(21)20-15-9-13(18)8-14(19)10-15/h8-12H,4-7,19H2,1-3H3,(H,20,21).
What are the key properties of N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide?
N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 107333878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).