4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide

C14H18ClFN2O — CID 43433299

IUPAC4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c15-12-2-1-3-13(16)11(12)8-18-10-6-4-9(5-7-10)14(17)19/h1-3,9-10,18H,4-8H2,(H2,17,19)
InChIKeyYKADRTCBVCHFOJ-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.61
Rot. Bonds4

About 4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide

4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide (PubChem CID 43433299) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide
PubChem CID43433299
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c15-12-2-1-3-13(16)11(12)8-18-10-6-4-9(5-7-10)14(17)19/h1-3,9-10,18H,4-8H2,(H2,17,19)
InChIKeyYKADRTCBVCHFOJ-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide (CID 43433299) is 4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCc2c(F)cccc2Cl)CC1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is YKADRTCBVCHFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-12-2-1-3-13(16)11(12)8-18-10-6-4-9(5-7-10)14(17)19/h1-3,9-10,18H,4-8H2,(H2,17,19).
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide?
4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 284.76 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43433299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).