4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide

C14H18F2N2O — CID 55149645

IUPAC4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2cccc(F)c2F)CC1
InChIInChI=1S/C14H18F2N2O/c15-12-3-1-2-10(13(12)16)8-18-11-6-4-9(5-7-11)14(17)19/h1-3,9,11,18H,4-8H2,(H2,17,19)
InChIKeyMKCRWPMLFSRONV-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.10
Rot. Bonds4

About 4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide

4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide (PubChem CID 55149645) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
PubChem CID55149645
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2cccc(F)c2F)CC1
InChIInChI=1S/C14H18F2N2O/c15-12-3-1-2-10(13(12)16)8-18-11-6-4-9(5-7-11)14(17)19/h1-3,9,11,18H,4-8H2,(H2,17,19)
InChIKeyMKCRWPMLFSRONV-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 112651890
4-[(2,3-dihydroxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61317470
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
3-[[(4-carbamoylcyclohexyl)amino]methyl]-4-fluorobenzoic acid
CID 107452622
4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
CID 43433251
N-[(2,3-difluorophenyl)methyl]-1,1-dioxothietan-3-amine
CID 165451308
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide
CID 80649920
4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
CID 115523776
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide (CID 55149645) is 4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCc2cccc(F)c2F)CC1.
What is the InChIKey of 4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is MKCRWPMLFSRONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-12-3-1-2-10(13(12)16)8-18-11-6-4-9(5-7-11)14(17)19/h1-3,9,11,18H,4-8H2,(H2,17,19).
What are the key properties of 4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide?
4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 55149645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).