N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide

C17H15N3O2 — CID 168523080

IUPACN-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C17H15N3O2/c1-20(17(22)13-5-3-2-4-6-13)15-9-7-14(8-10-15)19-16(21)11-12-18/h2-10H,11H2,1H3,(H,19,21)
InChIKeyPNOUTIZSHUKKAG-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.82
Rot. Bonds4

About N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide

N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide (PubChem CID 168523080) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide
PubChem CID168523080
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C17H15N3O2/c1-20(17(22)13-5-3-2-4-6-13)15-9-7-14(8-10-15)19-16(21)11-12-18/h2-10H,11H2,1H3,(H,19,21)
InChIKeyPNOUTIZSHUKKAG-UHFFFAOYSA-N
XLogP2.82
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
CID 168520814
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
N-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-cyanoacetamide
CID 168520060
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate
CID 2356513
CID 173432275
CID 173432275
N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 9409794
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide?
The IUPAC name of N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide (CID 168523080) is N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide?
The canonical SMILES for N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide is CN(C(=O)c1ccccc1)c1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide?
The InChIKey is PNOUTIZSHUKKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-20(17(22)13-5-3-2-4-6-13)15-9-7-14(8-10-15)19-16(21)11-12-18/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide?
N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide has a molecular weight of 293.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide is sourced from PubChem (CID 168523080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).