N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide

C17H14ClN3O2 — CID 108922593

IUPACN-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H14ClN3O2/c18-13-3-1-2-12(10-13)11-17(23)21-15-6-4-14(5-7-15)20-16(22)8-9-19/h1-7,10H,8,11H2,(H,20,22)(H,21,23)
InChIKeyPIRIBAFPAONIDA-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.37
Rot. Bonds5

About N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide

N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide (PubChem CID 108922593) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
PubChem CID108922593
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H14ClN3O2/c18-13-3-1-2-12(10-13)11-17(23)21-15-6-4-14(5-7-15)20-16(22)8-9-19/h1-7,10H,8,11H2,(H,20,22)(H,21,23)
InChIKeyPIRIBAFPAONIDA-UHFFFAOYSA-N
XLogP3.37
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide
CID 168521018
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 2475447
2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 76945550
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
CID 113270904
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
2-(3-chlorophenyl)-N-quinoxalin-6-ylacetamide
CID 110723735
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
CID 104880434

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide?
The IUPAC name of N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide (CID 108922593) is N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide?
The InChIKey is PIRIBAFPAONIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-13-3-1-2-12(10-13)11-17(23)21-15-6-4-14(5-7-15)20-16(22)8-9-19/h1-7,10H,8,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide?
N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide has a molecular weight of 327.77 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide is sourced from PubChem (CID 108922593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).