methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate

C21H16ClNO2 — CID 139227476

IUPACmethyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate
SMILESCO/C(=N\c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClNO2/c1-25-21(16-10-6-3-7-11-16)23-19-13-12-17(22)14-18(19)20(24)15-8-4-2-5-9-15/h2-14H,1H3/b23-21-
InChIKeyKQDQNKAHVQQNAT-LNVKXUELSA-N
MW349.82 g/mol
LogP5.30
Rot. Bonds4

About methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate

methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate (PubChem CID 139227476) has the molecular formula C21H16ClNO2 and a molecular weight of 349.82 g/mol. Its IUPAC name is methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate.

Molecular Properties

Compound Namemethyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate
PubChem CID139227476
Molecular FormulaC21H16ClNO2
Molecular Weight349.82 g/mol
Exact Mass349.09
IUPAC Namemethyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate
SMILESCO/C(=N\c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClNO2/c1-25-21(16-10-6-3-7-11-16)23-19-13-12-17(22)14-18(19)20(24)15-8-4-2-5-9-15/h2-14H,1H3/b23-21-
InChIKeyKQDQNKAHVQQNAT-LNVKXUELSA-N
XLogP5.30
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066
(5-chloro-2-isothiocyanatophenyl)-phenylmethanone
CID 5200219
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
CID 110193413
[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 23766024
[5-chloro-2-[1-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethylideneamino]phenyl]-phenylmethanone
CID 135672124
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide
CID 87059878
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577864
ethyl (E)-2-[(2-benzoyl-4-chlorophenyl)iminomethyl]-4,4,4-trifluoro-3-hydroxybut-2-enoate
CID 135672118
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate?
The IUPAC name of methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate (CID 139227476) is methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate.
What is the SMILES notation for methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate?
The canonical SMILES for methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate is CO/C(=N\c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate?
The InChIKey is KQDQNKAHVQQNAT-LNVKXUELSA-N. The full InChI is InChI=1S/C21H16ClNO2/c1-25-21(16-10-6-3-7-11-16)23-19-13-12-17(22)14-18(19)20(24)15-8-4-2-5-9-15/h2-14H,1H3/b23-21-.
What are the key properties of methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate?
methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate has a molecular weight of 349.82 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate is sourced from PubChem (CID 139227476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).