(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate

C15H10Cl3NO3 — CID 2798263

IUPAC(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1ccccc1Cl)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO3/c16-10-6-5-9(13(18)7-10)8-22-15(21)19-14(20)11-3-1-2-4-12(11)17/h1-7H,8H2,(H,19,20,21)
InChIKeyVBSRSSXEXYRMPQ-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.71
Rot. Bonds3

About (2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate

(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate (PubChem CID 2798263) has the molecular formula C15H10Cl3NO3 and a molecular weight of 358.61 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
PubChem CID2798263
Molecular FormulaC15H10Cl3NO3
Molecular Weight358.61 g/mol
Exact Mass356.97
IUPAC Name(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1ccccc1Cl)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO3/c16-10-6-5-9(13(18)7-10)8-22-15(21)19-14(20)11-3-1-2-4-12(11)17/h1-7H,8H2,(H,19,20,21)
InChIKeyVBSRSSXEXYRMPQ-UHFFFAOYSA-N
XLogP4.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
CID 2798270
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
CID 27102174
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682789
2-O-[(2,4-dichlorophenyl)methyl] 1-O-nonyl benzene-1,2-dicarboxylate
CID 91720374
(2,4-dichlorophenyl)methyl 2-(2-cyanophenyl)benzoate
CID 7520296
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578182
(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 4162168
(2,4-dichlorophenyl)methyl cyclobutanecarboxylate
CID 2374200
(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 2342593
(2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate
CID 1471296

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate?
The IUPAC name of (2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate (CID 2798263) is (2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate?
The canonical SMILES for (2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate is O=C(NC(=O)c1ccccc1Cl)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate?
The InChIKey is VBSRSSXEXYRMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO3/c16-10-6-5-9(13(18)7-10)8-22-15(21)19-14(20)11-3-1-2-4-12(11)17/h1-7H,8H2,(H,19,20,21).
What are the key properties of (2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate?
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate has a molecular weight of 358.61 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate is sourced from PubChem (CID 2798263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).