4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide

C17H16N2O2 — CID 7719116

IUPAC4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H16N2O2/c1-12(15-5-3-4-6-16(15)21-2)19-17(20)14-9-7-13(11-18)8-10-14/h3-10,12H,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyCVKUUMVVDZTBOC-LBPRGKRZSA-N
MW280.33 g/mol
LogP3.06
Rot. Bonds4

About 4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide

4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 7719116) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
PubChem CID7719116
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H16N2O2/c1-12(15-5-3-4-6-16(15)21-2)19-17(20)14-9-7-13(11-18)8-10-14/h3-10,12H,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyCVKUUMVVDZTBOC-LBPRGKRZSA-N
XLogP3.06
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
CID 26618887
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
4-(chloromethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81389735
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 26882953
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 26750941
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313653
N-[1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 75461927
4-(1,3-dithiolan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 78771363
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide (CID 7719116) is 4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1[C@H](C)NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is CVKUUMVVDZTBOC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(15-5-3-4-6-16(15)21-2)19-17(20)14-9-7-13(11-18)8-10-14/h3-10,12H,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 7719116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).