4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide

C17H25FN2O — CID 60848343

IUPAC4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide
SMILESCC(C)C(NC(=O)C1CCC(N)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-11(2)16(12-3-7-14(18)8-4-12)20-17(21)13-5-9-15(19)10-6-13/h3-4,7-8,11,13,15-16H,5-6,9-10,19H2,1-2H3,(H,20,21)
InChIKeyPQMFZCPSHRFITF-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.16
Rot. Bonds4

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

4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide (PubChem CID 60848343) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide
PubChem CID60848343
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide
SMILESCC(C)C(NC(=O)C1CCC(N)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-11(2)16(12-3-7-14(18)8-4-12)20-17(21)13-5-9-15(19)10-6-13/h3-4,7-8,11,13,15-16H,5-6,9-10,19H2,1-2H3,(H,20,21)
InChIKeyPQMFZCPSHRFITF-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 78982142
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide
CID 79211583
3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
CID 119692874
N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 43703517
methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate
CID 130277314
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide
CID 63715437
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide
CID 58417181
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide (CID 60848343) is 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide is CC(C)C(NC(=O)C1CCC(N)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide?
The InChIKey is PQMFZCPSHRFITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-11(2)16(12-3-7-14(18)8-4-12)20-17(21)13-5-9-15(19)10-6-13/h3-4,7-8,11,13,15-16H,5-6,9-10,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide?
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60848343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).