N-(cyanomethyl)-2-methyl-N-phenylbenzamide

C16H14N2O — CID 82131459

IUPACN-(cyanomethyl)-2-methyl-N-phenylbenzamide
SMILESCc1ccccc1C(=O)N(CC#N)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-13-7-5-6-10-15(13)16(19)18(12-11-17)14-8-3-2-4-9-14/h2-10H,12H2,1H3
InChIKeyOKRHAUCPTXVBGD-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.17
Rot. Bonds3

About N-(cyanomethyl)-2-methyl-N-phenylbenzamide

N-(cyanomethyl)-2-methyl-N-phenylbenzamide (PubChem CID 82131459) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(cyanomethyl)-2-methyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-methyl-N-phenylbenzamide
PubChem CID82131459
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-(cyanomethyl)-2-methyl-N-phenylbenzamide
SMILESCc1ccccc1C(=O)N(CC#N)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-13-7-5-6-10-15(13)16(19)18(12-11-17)14-8-3-2-4-9-14/h2-10H,12H2,1H3
InChIKeyOKRHAUCPTXVBGD-UHFFFAOYSA-N
XLogP3.17
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-fluoro-N-phenylbenzamide
CID 82131953
N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
CID 24708338
N-(cyanomethyl)-3,4-dimethyl-N-phenylbenzamide
CID 82133612
2-methyl-3-(N-(2-methylbenzoyl)anilino)propanoic acid
CID 82321588
N-(cyanomethyl)-2-methyl-N-phenylpropanamide
CID 82126045
2-[cyanomethyl-[2-(2-methylphenyl)-2-oxoethyl]amino]acetonitrile
CID 62051343
N,2-dimethyl-N-phenylbenzamide
CID 5222383
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 62830086
N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide
CID 82127029
N-(cyanomethyl)-2-[ethyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 60685943

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-methyl-N-phenylbenzamide?
The IUPAC name of N-(cyanomethyl)-2-methyl-N-phenylbenzamide (CID 82131459) is N-(cyanomethyl)-2-methyl-N-phenylbenzamide.
What is the SMILES notation for N-(cyanomethyl)-2-methyl-N-phenylbenzamide?
The canonical SMILES for N-(cyanomethyl)-2-methyl-N-phenylbenzamide is Cc1ccccc1C(=O)N(CC#N)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-methyl-N-phenylbenzamide?
The InChIKey is OKRHAUCPTXVBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-13-7-5-6-10-15(13)16(19)18(12-11-17)14-8-3-2-4-9-14/h2-10H,12H2,1H3.
What are the key properties of N-(cyanomethyl)-2-methyl-N-phenylbenzamide?
N-(cyanomethyl)-2-methyl-N-phenylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-methyl-N-phenylbenzamide is sourced from PubChem (CID 82131459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).