N,N-dibenzoylcarbamoyl chloride

C15H10ClNO3 — CID 151011210

IUPACN,N-dibenzoylcarbamoyl chloride
SMILESO=C(Cl)N(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H10ClNO3/c16-15(20)17(13(18)11-7-3-1-4-8-11)14(19)12-9-5-2-6-10-12/h1-10H
InChIKeyLWDFRYZPWBLPLS-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.33
Rot. Bonds2

About N,N-dibenzoylcarbamoyl chloride

N,N-dibenzoylcarbamoyl chloride (PubChem CID 151011210) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is N,N-dibenzoylcarbamoyl chloride.

Molecular Properties

Compound NameN,N-dibenzoylcarbamoyl chloride
PubChem CID151011210
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC NameN,N-dibenzoylcarbamoyl chloride
SMILESO=C(Cl)N(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H10ClNO3/c16-15(20)17(13(18)11-7-3-1-4-8-11)14(19)12-9-5-2-6-10-12/h1-10H
InChIKeyLWDFRYZPWBLPLS-UHFFFAOYSA-N
XLogP3.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
benzoyl chloride;selane
CID 174449470
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
CID 88738435
benzoyl chloride;hydrazine
CID 19933227
N-benzoyl-N-(2-chlorophenyl)benzamide
CID 10592933
N-benzoyl-N-(2-bromophenyl)benzamide
CID 10595916
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1-phenylethanone;bis(yttrium)
CID 58212087
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
N-hydroxy-N-phenylbenzamide;tungsten
CID 159148219
benzoyl(sulfo)sulfamic acid
CID 54081519

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzoylcarbamoyl chloride?
The IUPAC name of N,N-dibenzoylcarbamoyl chloride (CID 151011210) is N,N-dibenzoylcarbamoyl chloride.
What is the SMILES notation for N,N-dibenzoylcarbamoyl chloride?
The canonical SMILES for N,N-dibenzoylcarbamoyl chloride is O=C(Cl)N(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N,N-dibenzoylcarbamoyl chloride?
The InChIKey is LWDFRYZPWBLPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-15(20)17(13(18)11-7-3-1-4-8-11)14(19)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N,N-dibenzoylcarbamoyl chloride?
N,N-dibenzoylcarbamoyl chloride has a molecular weight of 287.70 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzoylcarbamoyl chloride is sourced from PubChem (CID 151011210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).