(3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate

C15H13Cl2NO2 — CID 4560735

IUPAC(3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate
SMILESCc1cccc(NC(=O)Oc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C15H13Cl2NO2/c1-9-4-3-5-14(10(9)2)18-15(19)20-11-6-7-12(16)13(17)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyMXDWZKJSEZFHND-UHFFFAOYSA-N
MW310.18 g/mol
LogP5.22
Rot. Bonds2

About (3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate

(3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate (PubChem CID 4560735) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate
PubChem CID4560735
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate
SMILESCc1cccc(NC(=O)Oc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C15H13Cl2NO2/c1-9-4-3-5-14(10(9)2)18-15(19)20-11-6-7-12(16)13(17)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyMXDWZKJSEZFHND-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.18
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate
CID 3542576
2-(3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 26416873
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113179482
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724950
(3,4-dichlorophenyl) N-(cyanomethyl)carbamate
CID 116819787
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 2175051
2-hydroxyethyl N-(2,3-dimethylphenyl)carbamate
CID 79345225
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
N-(3-chloro-2-methylphenyl)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435108
2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267194

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate?
The IUPAC name of (3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate (CID 4560735) is (3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate.
What is the SMILES notation for (3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate?
The canonical SMILES for (3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate is Cc1cccc(NC(=O)Oc2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of (3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate?
The InChIKey is MXDWZKJSEZFHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9-4-3-5-14(10(9)2)18-15(19)20-11-6-7-12(16)13(17)8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of (3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate?
(3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate has a molecular weight of 310.18 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate is sourced from PubChem (CID 4560735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).