(2-bromo-5-chlorophenyl) carbamate

C7H5BrClNO2 — CID 174508201

IUPAC(2-bromo-5-chlorophenyl) carbamate
SMILESNC(=O)Oc1cc(Cl)ccc1Br
InChIInChI=1S/C7H5BrClNO2/c8-5-2-1-4(9)3-6(5)12-7(10)11/h1-3H,(H2,10,11)
InChIKeyGHJFZWZJIXYAHT-UHFFFAOYSA-N
MW250.48 g/mol
LogP2.56
Rot. Bonds1

About (2-bromo-5-chlorophenyl) carbamate

(2-bromo-5-chlorophenyl) carbamate (PubChem CID 174508201) has the molecular formula C7H5BrClNO2 and a molecular weight of 250.48 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl) carbamate.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl) carbamate
PubChem CID174508201
Molecular FormulaC7H5BrClNO2
Molecular Weight250.48 g/mol
Exact Mass248.92
IUPAC Name(2-bromo-5-chlorophenyl) carbamate
SMILESNC(=O)Oc1cc(Cl)ccc1Br
InChIInChI=1S/C7H5BrClNO2/c8-5-2-1-4(9)3-6(5)12-7(10)11/h1-3H,(H2,10,11)
InChIKeyGHJFZWZJIXYAHT-UHFFFAOYSA-N
XLogP2.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate
CID 62706612
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
CID 139220453
(3-amino-5-chloro-2-fluorophenyl) carbamate
CID 174670432
(5-amino-2-chloro-3-fluorophenyl) carbamate
CID 150779474
2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81271801
tert-butyl 2-bromo-5-chlorobenzoate
CID 59447603
4-chloro-2-methoxybenzamide
CID 19741766
(2-bromo-4-chlorophenyl)urea
CID 81003362
(2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 134118223
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl) carbamate?
The IUPAC name of (2-bromo-5-chlorophenyl) carbamate (CID 174508201) is (2-bromo-5-chlorophenyl) carbamate.
What is the SMILES notation for (2-bromo-5-chlorophenyl) carbamate?
The canonical SMILES for (2-bromo-5-chlorophenyl) carbamate is NC(=O)Oc1cc(Cl)ccc1Br.
What is the InChIKey of (2-bromo-5-chlorophenyl) carbamate?
The InChIKey is GHJFZWZJIXYAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO2/c8-5-2-1-4(9)3-6(5)12-7(10)11/h1-3H,(H2,10,11).
What are the key properties of (2-bromo-5-chlorophenyl) carbamate?
(2-bromo-5-chlorophenyl) carbamate has a molecular weight of 250.48 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl) carbamate is sourced from PubChem (CID 174508201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).