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

C18H16ClN3O2 — CID 108923717

IUPACN-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCc1ccccc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2/c19-15-7-3-1-5-13(15)11-18(24)22-16-8-4-2-6-14(16)12-21-17(23)9-10-20/h1-8H,9,11-12H2,(H,21,23)(H,22,24)
InChIKeyPFMJUSMSSQJHBX-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.05
Rot. Bonds6

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

N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide (PubChem CID 108923717) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
PubChem CID108923717
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCc1ccccc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2/c19-15-7-3-1-5-13(15)11-18(24)22-16-8-4-2-6-14(16)12-21-17(23)9-10-20/h1-8H,9,11-12H2,(H,21,23)(H,22,24)
InChIKeyPFMJUSMSSQJHBX-UHFFFAOYSA-N
XLogP3.05
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide with MolForge

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Related Compounds

2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923501
4-(2-chlorophenoxy)-N-[[2-[(2-cyanoacetyl)amino]phenyl]methyl]butanamide
CID 108923588
N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108923539
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985367
(E)-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-methylpent-2-enamide
CID 108923829
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
tert-butyl N-[2-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918152
N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 108923757
(E)-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-cyclopentylbut-2-enamide
CID 108923827
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923594

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide?
The IUPAC name of N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide (CID 108923717) is N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide?
The canonical SMILES for N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide is N#CCC(=O)NCc1ccccc1NC(=O)Cc1ccccc1Cl.
What is the InChIKey of N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide?
The InChIKey is PFMJUSMSSQJHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-15-7-3-1-5-13(15)11-18(24)22-16-8-4-2-6-14(16)12-21-17(23)9-10-20/h1-8H,9,11-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide?
N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide has a molecular weight of 341.80 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide is sourced from PubChem (CID 108923717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).