(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate

C16H15BrClNO2 — CID 3265597

IUPAC(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate
SMILESCc1cc(Cl)ccc1NC(=O)Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H15BrClNO2/c1-9-6-12(18)4-5-14(9)19-16(20)21-13-7-10(2)15(17)11(3)8-13/h4-8H,1-3H3,(H,19,20)
InChIKeySLWYXLODRQAULK-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.64
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate

(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate (PubChem CID 3265597) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate
PubChem CID3265597
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate
SMILESCc1cc(Cl)ccc1NC(=O)Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H15BrClNO2/c1-9-6-12(18)4-5-14(9)19-16(20)21-13-7-10(2)15(17)11(3)8-13/h4-8H,1-3H3,(H,19,20)
InChIKeySLWYXLODRQAULK-UHFFFAOYSA-N
XLogP5.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate
CID 70593902
quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
CID 4114016
ethyl N-[(4-chloro-2-methylphenyl)carbamoylamino]carbamate
CID 4307615
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213
(2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate
CID 5161402
(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
CID 134103774
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate?
The IUPAC name of (4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate (CID 3265597) is (4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate is Cc1cc(Cl)ccc1NC(=O)Oc1cc(C)c(Br)c(C)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate?
The InChIKey is SLWYXLODRQAULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-9-6-12(18)4-5-14(9)19-16(20)21-13-7-10(2)15(17)11(3)8-13/h4-8H,1-3H3,(H,19,20).
What are the key properties of (4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate?
(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate has a molecular weight of 368.66 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate is sourced from PubChem (CID 3265597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).