4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide

C19H19F3N2O — CID 167830419

IUPAC4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIInChI=1S/C19H19F3N2O/c20-16-9-13(10-17(21)18(16)22)11-3-7-15(8-4-11)24-19(25)12-1-5-14(23)6-2-12/h3-4,7-10,12,14H,1-2,5-6,23H2,(H,24,25)
InChIKeyKJFQTUPSHIPTAH-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.23
Rot. Bonds3

About 4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide

4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 167830419) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
PubChem CID167830419
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIInChI=1S/C19H19F3N2O/c20-16-9-13(10-17(21)18(16)22)11-3-7-15(8-4-11)24-19(25)12-1-5-14(23)6-2-12/h3-4,7-10,12,14H,1-2,5-6,23H2,(H,24,25)
InChIKeyKJFQTUPSHIPTAH-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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

4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
4-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641715
N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide
CID 118494882
4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide
CID 54928815
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 60849609
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide (CID 167830419) is 4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1.
What is the InChIKey of 4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is KJFQTUPSHIPTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-16-9-13(10-17(21)18(16)22)11-3-7-15(8-4-11)24-19(25)12-1-5-14(23)6-2-12/h3-4,7-10,12,14H,1-2,5-6,23H2,(H,24,25).
What are the key properties of 4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide?
4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167830419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).