2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide

C22H18ClNO2 — CID 143726718

IUPAC2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide
SMILESO=C(N/C(=C\c1ccccc1)OCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H18ClNO2/c23-20-14-8-7-13-19(20)22(25)24-21(15-17-9-3-1-4-10-17)26-16-18-11-5-2-6-12-18/h1-15H,16H2,(H,24,25)/b21-15+
InChIKeyGGGIYRYARGHRGB-RCCKNPSSSA-N
MW363.84 g/mol
LogP5.29
Rot. Bonds6

About 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide

2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide (PubChem CID 143726718) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide
PubChem CID143726718
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide
SMILESO=C(N/C(=C\c1ccccc1)OCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H18ClNO2/c23-20-14-8-7-13-19(20)22(25)24-21(15-17-9-3-1-4-10-17)26-16-18-11-5-2-6-12-18/h1-15H,16H2,(H,24,25)/b21-15+
InChIKeyGGGIYRYARGHRGB-RCCKNPSSSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine
CID 143726717
3-(2-chlorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 68604703
3-O-benzyl 1-O-methyl (2Z)-2-benzylidenepropanedioate
CID 14168531
benzyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7531702
benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198296
(Z,2Z)-2-benzylidene-4-phenyl-3-phenylmethoxycarbonylbut-3-enoic acid
CID 6916903
benzyl N-[(E)-3-oxo-1-phenylbut-1-en-2-yl]carbamate
CID 24978272
benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate
CID 135022192
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 3741390
N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide
CID 19628253
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 2896836
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide?
The IUPAC name of 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide (CID 143726718) is 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide is O=C(N/C(=C\c1ccccc1)OCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide?
The InChIKey is GGGIYRYARGHRGB-RCCKNPSSSA-N. The full InChI is InChI=1S/C22H18ClNO2/c23-20-14-8-7-13-19(20)22(25)24-21(15-17-9-3-1-4-10-17)26-16-18-11-5-2-6-12-18/h1-15H,16H2,(H,24,25)/b21-15+.
What are the key properties of 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide?
2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide has a molecular weight of 363.84 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide is sourced from PubChem (CID 143726718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).