N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide

C15H11Cl2NO2 — CID 43340829

IUPACN-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H11Cl2NO2/c1-18(9-19)12-5-2-10(3-6-12)15(20)13-7-4-11(16)8-14(13)17/h2-9H,1H3
InChIKeyZHYKZKXYYSNZTB-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.82
Rot. Bonds4

About N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide

N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide (PubChem CID 43340829) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide
PubChem CID43340829
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC NameN-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H11Cl2NO2/c1-18(9-19)12-5-2-10(3-6-12)15(20)13-7-4-11(16)8-14(13)17/h2-9H,1H3
InChIKeyZHYKZKXYYSNZTB-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide
CID 115549784
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(2,4-dichlorophenyl)-(4-phosphorosophenyl)methanone
CID 141016056
(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone
CID 134092266
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
CID 67784535
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 67019924
N-(2,4-dichlorophenyl)-N-methylformamide
CID 87333606
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide (CID 43340829) is N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide is CN(C=O)c1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide?
The InChIKey is ZHYKZKXYYSNZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c1-18(9-19)12-5-2-10(3-6-12)15(20)13-7-4-11(16)8-14(13)17/h2-9H,1H3.
What are the key properties of N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide?
N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide has a molecular weight of 308.16 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide is sourced from PubChem (CID 43340829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).