4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide

C14H18ClFN2O — CID 112651890

IUPAC4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2cccc(F)c2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c15-13-10(2-1-3-12(13)16)8-18-11-6-4-9(5-7-11)14(17)19/h1-3,9,11,18H,4-8H2,(H2,17,19)
InChIKeyOYTYHJSPSZWICK-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.61
Rot. Bonds4

About 4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide

4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide (PubChem CID 112651890) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide
PubChem CID112651890
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2cccc(F)c2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c15-13-10(2-1-3-12(13)16)8-18-11-6-4-9(5-7-11)14(17)19/h1-3,9,11,18H,4-8H2,(H2,17,19)
InChIKeyOYTYHJSPSZWICK-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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Related Compounds

4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
4-[(2,3-dihydroxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61317470
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
CID 43433251
3-[[(4-carbamoylcyclohexyl)amino]methyl]-4-fluorobenzoic acid
CID 107452622
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide
CID 80649920
N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 112654505
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 112651913

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide (CID 112651890) is 4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCc2cccc(F)c2Cl)CC1.
What is the InChIKey of 4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is OYTYHJSPSZWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-13-10(2-1-3-12(13)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-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide?
4-[(2-chloro-3-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-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 112651890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).