N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide

C14H18F2N2O — CID 63755319

IUPACN-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
SMILESNCC1(NC(=O)c2cc(F)cc(F)c2)CCCCC1
InChIInChI=1S/C14H18F2N2O/c15-11-6-10(7-12(16)8-11)13(19)18-14(9-17)4-2-1-3-5-14/h6-8H,1-5,9,17H2,(H,18,19)
InChIKeyVUEJHCMTDYWDIE-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.36
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide

N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide (PubChem CID 63755319) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
PubChem CID63755319
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
SMILESNCC1(NC(=O)c2cc(F)cc(F)c2)CCCCC1
InChIInChI=1S/C14H18F2N2O/c15-11-6-10(7-12(16)8-11)13(19)18-14(9-17)4-2-1-3-5-14/h6-8H,1-5,9,17H2,(H,18,19)
InChIKeyVUEJHCMTDYWDIE-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide
CID 63765902
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119567983
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzamide;hydrochloride
CID 119565325
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
CID 119404038

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide (CID 63755319) is N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide is NCC1(NC(=O)c2cc(F)cc(F)c2)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide?
The InChIKey is VUEJHCMTDYWDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-6-10(7-12(16)8-11)13(19)18-14(9-17)4-2-1-3-5-14/h6-8H,1-5,9,17H2,(H,18,19).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide?
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide is sourced from PubChem (CID 63755319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).