4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide

C17H16N2O2 — CID 82179481

IUPAC4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C17H16N2O2/c1-12-3-8-16(21-2)15(11-12)19-17(20)14-6-4-13(5-7-14)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,20)
InChIKeySROUQQMTCVCGCY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.32
Rot. Bonds4

About 4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide

4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 82179481) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID82179481
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C17H16N2O2/c1-12-3-8-16(21-2)15(11-12)19-17(20)14-6-4-13(5-7-14)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,20)
InChIKeySROUQQMTCVCGCY-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
4-(diethylaminomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 46435285
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
4-(ethylamino)-N-(2-methoxy-5-methylphenyl)benzamide
CID 62171726
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
4-formyl-N-(2-methoxy-5-methylphenyl)benzamide
CID 134025426
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-(2-methoxy-5-methylphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763715
tert-butyl N-[5-(cyanomethyl)-2-methoxyphenyl]carbamate
CID 117410427
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256299

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide (CID 82179481) is 4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(CC#N)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is SROUQQMTCVCGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-3-8-16(21-2)15(11-12)19-17(20)14-6-4-13(5-7-14)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,20).
What are the key properties of 4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide?
4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide has a molecular weight of 280.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 82179481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).