N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide

C16H13FN2O3 — CID 100615787

IUPACN-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESCOc1ccccc1[C@H](C#N)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C16H13FN2O3/c1-22-14-8-3-2-5-10(14)12(9-18)19-16(21)15-11(17)6-4-7-13(15)20/h2-8,12,20H,1H3,(H,19,21)/t12-/m0/s1
InChIKeyQLANZSXYVBNQMB-LBPRGKRZSA-N
MW300.29 g/mol
LogP2.53
Rot. Bonds4

About N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide

N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 100615787) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
PubChem CID100615787
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC NameN-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESCOc1ccccc1[C@H](C#N)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C16H13FN2O3/c1-22-14-8-3-2-5-10(14)12(9-18)19-16(21)15-11(17)6-4-7-13(15)20/h2-8,12,20H,1H3,(H,19,21)/t12-/m0/s1
InChIKeyQLANZSXYVBNQMB-LBPRGKRZSA-N
XLogP2.53
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104919730
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-fluoro-6-methylsulfanylbenzamide
CID 129433395
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
2-(2-fluoro-6-methoxybenzoyl)-3-methylbutanenitrile
CID 65434987
N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 111464535
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523
N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 65434785
N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 104917326
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 104916492
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 99793440

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide (CID 100615787) is N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide is COc1ccccc1[C@H](C#N)NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is QLANZSXYVBNQMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-22-14-8-3-2-5-10(14)12(9-18)19-16(21)15-11(17)6-4-7-13(15)20/h2-8,12,20H,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide?
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 300.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 100615787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).