(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate

C16H16ClNO2 — CID 7996910

IUPAC(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)Oc2c(C)cccc2C)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-10-7-8-13(9-14(10)17)18-16(19)20-15-11(2)5-4-6-12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyLLOPUFGPFGGPRT-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.88
Rot. Bonds2

About (2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate

(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate (PubChem CID 7996910) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
PubChem CID7996910
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)Oc2c(C)cccc2C)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-10-7-8-13(9-14(10)17)18-16(19)20-15-11(2)5-4-6-12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyLLOPUFGPFGGPRT-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate
CID 79341773
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
CID 108888748
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
3-bromopropyl N-(3-chloro-4-methylphenyl)carbamate
CID 103970695

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate?
The IUPAC name of (2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate (CID 7996910) is (2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate.
What is the SMILES notation for (2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate?
The canonical SMILES for (2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate is Cc1ccc(NC(=O)Oc2c(C)cccc2C)cc1Cl.
What is the InChIKey of (2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate?
The InChIKey is LLOPUFGPFGGPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-7-8-13(9-14(10)17)18-16(19)20-15-11(2)5-4-6-12(15)3/h4-9H,1-3H3,(H,18,19).
What are the key properties of (2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate?
(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate has a molecular weight of 289.76 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate is sourced from PubChem (CID 7996910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).