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

C17H23FN2O — CID 43791713

IUPAC4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC(c2ccc(F)cc2)C2CC2)CC1
InChIInChI=1S/C17H23FN2O/c18-14-7-3-12(4-8-14)16(11-1-2-11)20-15-9-5-13(6-10-15)17(19)21/h3-4,7-8,11,13,15-16,20H,1-2,5-6,9-10H2,(H2,19,21)
InChIKeyQQQDTXQOQHQVDS-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.91
Rot. Bonds5

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

4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide (PubChem CID 43791713) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide
PubChem CID43791713
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC(c2ccc(F)cc2)C2CC2)CC1
InChIInChI=1S/C17H23FN2O/c18-14-7-3-12(4-8-14)16(11-1-2-11)20-15-9-5-13(6-10-15)17(19)21/h3-4,7-8,11,13,15-16,20H,1-2,5-6,9-10H2,(H2,19,21)
InChIKeyQQQDTXQOQHQVDS-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
CID 61043138
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide
CID 106344221
N-cyclopropyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 43777996
4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid
CID 122031155
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775064
4-[1-(3-bromo-4-fluorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791702
4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748795
4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791667
1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide
CID 9443017
2-amino-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 83533215
N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 115356216

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide (CID 43791713) is 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NC(c2ccc(F)cc2)C2CC2)CC1.
What is the InChIKey of 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide?
The InChIKey is QQQDTXQOQHQVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-14-7-3-12(4-8-14)16(11-1-2-11)20-15-9-5-13(6-10-15)17(19)21/h3-4,7-8,11,13,15-16,20H,1-2,5-6,9-10H2,(H2,19,21).
What are the key properties of 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide?
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide has a molecular weight of 290.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43791713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).