N-(1-cyanoethyl)-2,3-dimethylbenzamide

C12H14N2O — CID 61121435

IUPACN-(1-cyanoethyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C)C#N)c1C
InChIInChI=1S/C12H14N2O/c1-8-5-4-6-11(10(8)3)12(15)14-9(2)7-13/h4-6,9H,1-3H3,(H,14,15)
InChIKeyIVRJVLYQXPCPFY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.95
Rot. Bonds2

About N-(1-cyanoethyl)-2,3-dimethylbenzamide

N-(1-cyanoethyl)-2,3-dimethylbenzamide (PubChem CID 61121435) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2,3-dimethylbenzamide
PubChem CID61121435
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-(1-cyanoethyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C)C#N)c1C
InChIInChI=1S/C12H14N2O/c1-8-5-4-6-11(10(8)3)12(15)14-9(2)7-13/h4-6,9H,1-3H3,(H,14,15)
InChIKeyIVRJVLYQXPCPFY-UHFFFAOYSA-N
XLogP1.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-but-3-yn-2-yl-2,3-dimethylbenzamide
CID 114389941
N-(1-cyanoethyl)-2-methyl-3-nitrobenzamide
CID 61120058
N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide
CID 60659253
N-(1-chloropropan-2-yl)-2,3-dimethylbenzamide
CID 114299454
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
ethane;N,2,3-trimethylbenzamide
CID 178108869
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
CID 8751575
N-(1-cyanoethyl)-2-nitrobenzamide
CID 55139517
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55209186
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(1-cyanoethyl)-2,3-dimethylbenzamide (CID 61121435) is N-(1-cyanoethyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(1-cyanoethyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(1-cyanoethyl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC(C)C#N)c1C.
What is the InChIKey of N-(1-cyanoethyl)-2,3-dimethylbenzamide?
The InChIKey is IVRJVLYQXPCPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-5-4-6-11(10(8)3)12(15)14-9(2)7-13/h4-6,9H,1-3H3,(H,14,15).
What are the key properties of N-(1-cyanoethyl)-2,3-dimethylbenzamide?
N-(1-cyanoethyl)-2,3-dimethylbenzamide has a molecular weight of 202.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 61121435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).