4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide

C17H23FN2O — CID 60939318

IUPAC4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)N(Cc2cccc(F)c2)C2CC2)CC1
InChIInChI=1S/C17H23FN2O/c18-14-3-1-2-12(10-14)11-20(16-8-9-16)17(21)13-4-6-15(19)7-5-13/h1-3,10,13,15-16H,4-9,11,19H2
InChIKeyZHLKODKOPULARN-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.83
Rot. Bonds4

About 4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide

4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 60939318) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID60939318
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)N(Cc2cccc(F)c2)C2CC2)CC1
InChIInChI=1S/C17H23FN2O/c18-14-3-1-2-12(10-14)11-20(16-8-9-16)17(21)13-4-6-15(19)7-5-13/h1-3,10,13,15-16H,4-9,11,19H2
InChIKeyZHLKODKOPULARN-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 23823774
N-cyclopropyl-1-(2,2-dimethylpropanoyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55582556
3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66009589
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
4-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 40643648
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
(E)-4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875274
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide (CID 60939318) is 4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)N(Cc2cccc(F)c2)C2CC2)CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZHLKODKOPULARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-14-3-1-2-12(10-14)11-20(16-8-9-16)17(21)13-4-6-15(19)7-5-13/h1-3,10,13,15-16H,4-9,11,19H2.
What are the key properties of 4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide?
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 290.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60939318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).