2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide

C14H18F2N2O2 — CID 106871627

IUPAC2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide
SMILESCOC1CCCC(Nc2cc(C(N)=O)c(F)cc2F)C1
InChIInChI=1S/C14H18F2N2O2/c1-20-9-4-2-3-8(5-9)18-13-6-10(14(17)19)11(15)7-12(13)16/h6-9,18H,2-5H2,1H3,(H2,17,19)
InChIKeyQQZMCHBBPNGLCY-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.43
Rot. Bonds4

About 2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide

2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide (PubChem CID 106871627) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide
PubChem CID106871627
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide
SMILESCOC1CCCC(Nc2cc(C(N)=O)c(F)cc2F)C1
InChIInChI=1S/C14H18F2N2O2/c1-20-9-4-2-3-8(5-9)18-13-6-10(14(17)19)11(15)7-12(13)16/h6-9,18H,2-5H2,1H3,(H2,17,19)
InChIKeyQQZMCHBBPNGLCY-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
methyl 5-[(3-aminocyclohexyl)amino]-2,4-difluorobenzoate
CID 79458856
methyl 2,4-difluoro-5-[(3-methylcyclohexyl)amino]benzoate
CID 43731418
2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide
CID 43673699
methyl 5-[(3-aminocyclopentyl)amino]-2,4-difluorobenzoate
CID 79461119
6-[(3-methoxycyclohexyl)amino]pyridazine-3-carboxamide
CID 133399457
5-(cyclopentylamino)-2,4-difluorobenzoic acid
CID 43737090
2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide
CID 79941342
5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761802
5-(cycloheptylamino)-2,4-difluorobenzoic acid
CID 43737089
5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline
CID 107591263
5-[(2,5-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761998

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide (CID 106871627) is 2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide is COC1CCCC(Nc2cc(C(N)=O)c(F)cc2F)C1.
What is the InChIKey of 2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide?
The InChIKey is QQZMCHBBPNGLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-20-9-4-2-3-8(5-9)18-13-6-10(14(17)19)11(15)7-12(13)16/h6-9,18H,2-5H2,1H3,(H2,17,19).
What are the key properties of 2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide?
2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide is sourced from PubChem (CID 106871627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).