N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide

C16H13FN2O2 — CID 9246130

IUPACN-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN2O2/c1-21-14-4-2-3-12(9-14)16(20)19-15(10-18)11-5-7-13(17)8-6-11/h2-9,15H,1H3,(H,19,20)/t15-/m0/s1
InChIKeySNUIBCQPRDLMBS-HNNXBMFYSA-N
MW284.29 g/mol
LogP2.83
Rot. Bonds4

About N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide

N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide (PubChem CID 9246130) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide
PubChem CID9246130
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN2O2/c1-21-14-4-2-3-12(9-14)16(20)19-15(10-18)11-5-7-13(17)8-6-11/h2-9,15H,1H3,(H,19,20)/t15-/m0/s1
InChIKeySNUIBCQPRDLMBS-HNNXBMFYSA-N
XLogP2.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano-(4-fluorophenyl)methyl]-3-methylbenzamide
CID 78631291
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
N-[cyano-(4-methylphenyl)methyl]-3-fluorobenzamide
CID 82123290
(2S)-2-(4-fluorophenyl)-4-(3-methoxyphenyl)-4-oxobutanenitrile
CID 1483901
N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide
CID 82122992
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9246301
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 9246224
N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572178
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide
CID 110664187
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide (CID 9246130) is N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide?
The InChIKey is SNUIBCQPRDLMBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-14-4-2-3-12(9-14)16(20)19-15(10-18)11-5-7-13(17)8-6-11/h2-9,15H,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide?
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 9246130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).