N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide

C19H19F3N2O — CID 119479149

IUPACN-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide
SMILESNC1CCC(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIInChI=1S/C19H19F3N2O/c20-16-9-13(10-17(21)18(16)22)11-1-3-12(4-2-11)19(25)24-15-7-5-14(23)6-8-15/h1-4,9-10,14-15H,5-8,23H2,(H,24,25)
InChIKeyLQFFBQDTCUAPNT-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.77
Rot. Bonds3

About N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide

N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide (PubChem CID 119479149) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide
PubChem CID119479149
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide
SMILESNC1CCC(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIInChI=1S/C19H19F3N2O/c20-16-9-13(10-17(21)18(16)22)11-1-3-12(4-2-11)19(25)24-15-7-5-14(23)6-8-15/h1-4,9-10,14-15H,5-8,23H2,(H,24,25)
InChIKeyLQFFBQDTCUAPNT-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-aminocyclohexyl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119475380
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
CID 167830419
N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide
CID 119475981
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
CID 102851590
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119478238

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide (CID 119479149) is N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide is NC1CCC(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is LQFFBQDTCUAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-16-9-13(10-17(21)18(16)22)11-1-3-12(4-2-11)19(25)24-15-7-5-14(23)6-8-15/h1-4,9-10,14-15H,5-8,23H2,(H,24,25).
What are the key properties of N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide?
N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 348.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 119479149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).