N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide

C16H23FN2O — CID 62661525

IUPACN-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C16H23FN2O/c1-18-15-13(10-7-11-14(15)17)16(20)19(2)12-8-5-3-4-6-9-12/h7,10-12,18H,3-6,8-9H2,1-2H3
InChIKeyNBUCDZGMVCSOCK-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.66
Rot. Bonds3

About N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide

N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide (PubChem CID 62661525) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
PubChem CID62661525
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C16H23FN2O/c1-18-15-13(10-7-11-14(15)17)16(20)19(2)12-8-5-3-4-6-9-12/h7,10-12,18H,3-6,8-9H2,1-2H3
InChIKeyNBUCDZGMVCSOCK-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
CID 62650072
N-cyclopropyl-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62662193
N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62856801
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 62661130
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62650074
3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102636872
N-ethyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62648777
[4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
CID 62660653
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide?
The IUPAC name of N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide (CID 62661525) is N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)N(C)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide?
The InChIKey is NBUCDZGMVCSOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-18-15-13(10-7-11-14(15)17)16(20)19(2)12-8-5-3-4-6-9-12/h7,10-12,18H,3-6,8-9H2,1-2H3.
What are the key properties of N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide?
N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide has a molecular weight of 278.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 62661525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).