4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide

C15H20F2N2O — CID 115523776

IUPAC4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2ccc(C(F)F)cc2)CC1
InChIInChI=1S/C15H20F2N2O/c16-14(17)11-3-1-10(2-4-11)9-19-13-7-5-12(6-8-13)15(18)20/h1-4,12-14,19H,5-9H2,(H2,18,20)
InChIKeyNTOMBYGVBQDUEU-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.76
Rot. Bonds5

About 4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide

4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide (PubChem CID 115523776) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
PubChem CID115523776
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2ccc(C(F)F)cc2)CC1
InChIInChI=1S/C15H20F2N2O/c16-14(17)11-3-1-10(2-4-11)9-19-13-7-5-12(6-8-13)15(18)20/h1-4,12-14,19H,5-9H2,(H2,18,20)
InChIKeyNTOMBYGVBQDUEU-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
CID 61043138
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255
cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
CID 143080621
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide
CID 61042772
4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79977776
4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65478258
N-[[4-(difluoromethyl)phenyl]methyl]thian-3-amine
CID 104773477
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
CID 113328356
4-[(2,3-dihydroxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61317470

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide (CID 115523776) is 4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCc2ccc(C(F)F)cc2)CC1.
What is the InChIKey of 4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide?
The InChIKey is NTOMBYGVBQDUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-14(17)11-3-1-10(2-4-11)9-19-13-7-5-12(6-8-13)15(18)20/h1-4,12-14,19H,5-9H2,(H2,18,20).
What are the key properties of 4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide?
4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 115523776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).