N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide

C16H19FN2O2 — CID 65434785

IUPACN-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C16H19FN2O2/c1-21-14-9-5-8-12(17)15(14)16(20)19-13(10-18)11-6-3-2-4-7-11/h5,8-9,11,13H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyBSEREFLXDOVWTH-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.04
Rot. Bonds4

About N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide

N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide (PubChem CID 65434785) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
PubChem CID65434785
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C16H19FN2O2/c1-21-14-9-5-8-12(17)15(14)16(20)19-13(10-18)11-6-3-2-4-7-11/h5,8-9,11,13H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyBSEREFLXDOVWTH-UHFFFAOYSA-N
XLogP3.04
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide
CID 103846977
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 100615787
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
2-(2-fluoro-6-methoxybenzoyl)-3-methylbutanenitrile
CID 65434987
3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
CID 61119808
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
CID 63820678
(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79010897

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide (CID 65434785) is N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NC(C#N)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is BSEREFLXDOVWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-21-14-9-5-8-12(17)15(14)16(20)19-13(10-18)11-6-3-2-4-7-11/h5,8-9,11,13H,2-4,6-7H2,1H3,(H,19,20).
What are the key properties of N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide?
N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 290.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65434785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).