N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide

C19H17ClN4O3 — CID 9409794

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C19H17ClN4O3/c1-24(12-18(26)23-16-5-3-2-4-15(16)20)19(27)13-6-8-14(9-7-13)22-17(25)10-11-21/h2-9H,10,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyQNGMDCSQHUSJSF-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.90
Rot. Bonds6

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

N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide (PubChem CID 9409794) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide
PubChem CID9409794
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C19H17ClN4O3/c1-24(12-18(26)23-16-5-3-2-4-15(16)20)19(27)13-6-8-14(9-7-13)22-17(25)10-11-21/h2-9H,10,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyQNGMDCSQHUSJSF-UHFFFAOYSA-N
XLogP2.90
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2-cyanophenyl)sulfanyl-N-methylbenzamide
CID 24980334
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009
N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide
CID 168523080
N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949699
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2526439
3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 46472425
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide (CID 9409794) is N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide?
The InChIKey is QNGMDCSQHUSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-24(12-18(26)23-16-5-3-2-4-15(16)20)19(27)13-6-8-14(9-7-13)22-17(25)10-11-21/h2-9H,10,12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide has a molecular weight of 384.82 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide is sourced from PubChem (CID 9409794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).