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

C24H23ClN2O2 — CID 143726717

IUPAC2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine
SMILESC=NC.O=C(N/C(=C\c1ccccc1)OCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H18ClNO2.C2H5N/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;1-3-2/h1-15H,16H2,(H,24,25);1H2,2H3/b21-15+;
InChIKeyBMOOOBLVZYPREK-NEMIEIFKSA-N
MW406.91 g/mol
LogP5.60
Rot. Bonds6

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

2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine (PubChem CID 143726717) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine.

Molecular Properties

Compound Name2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine
PubChem CID143726717
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine
SMILESC=NC.O=C(N/C(=C\c1ccccc1)OCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H18ClNO2.C2H5N/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;1-3-2/h1-15H,16H2,(H,24,25);1H2,2H3/b21-15+;
InChIKeyBMOOOBLVZYPREK-NEMIEIFKSA-N
XLogP5.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide
CID 143726718
3-O-benzyl 1-O-methyl (2Z)-2-benzylidenepropanedioate
CID 14168531
benzyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7531702
benzyl N-[(E)-3-oxo-1-phenylbut-1-en-2-yl]carbamate
CID 24978272
3-(2-chlorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 68604703
methyl 3-(2-chlorophenyl)-3-phenylmethoxycarbonyliminopropanoate
CID 91318831
benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198296
2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 2878599
(Z,2Z)-2-benzylidene-4-phenyl-3-phenylmethoxycarbonylbut-3-enoic acid
CID 6916903
benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate
CID 135022192
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 2896836
2-chloro-N-[3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 3128994

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine?
The IUPAC name of 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine (CID 143726717) is 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine.
What is the SMILES notation for 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine?
The canonical SMILES for 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine is C=NC.O=C(N/C(=C\c1ccccc1)OCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine?
The InChIKey is BMOOOBLVZYPREK-NEMIEIFKSA-N. The full InChI is InChI=1S/C22H18ClNO2.C2H5N/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;1-3-2/h1-15H,16H2,(H,24,25);1H2,2H3/b21-15+;.
What are the key properties of 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine?
2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine has a molecular weight of 406.91 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide;N-methylmethanimine is sourced from PubChem (CID 143726717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).