(3-bromo-2-chlorophenyl)methyl carbamate

C8H7BrClNO2 — CID 175597039

IUPAC(3-bromo-2-chlorophenyl)methyl carbamate
SMILESNC(=O)OCc1cccc(Br)c1Cl
InChIInChI=1S/C8H7BrClNO2/c9-6-3-1-2-5(7(6)10)4-13-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyMFHVNIPLJXXDBF-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.70
Rot. Bonds2

About (3-bromo-2-chlorophenyl)methyl carbamate

(3-bromo-2-chlorophenyl)methyl carbamate (PubChem CID 175597039) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)methyl carbamate.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)methyl carbamate
PubChem CID175597039
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Name(3-bromo-2-chlorophenyl)methyl carbamate
SMILESNC(=O)OCc1cccc(Br)c1Cl
InChIInChI=1S/C8H7BrClNO2/c9-6-3-1-2-5(7(6)10)4-13-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyMFHVNIPLJXXDBF-UHFFFAOYSA-N
XLogP2.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23175354
(2-bromophenyl)methyl 4-chlorobenzoate
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N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide
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(2-bromo-5-fluorophenyl)methyl carbamate
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2-(3-amino-2-chlorophenyl)ethyl carbamate
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3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid
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(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
CID 141141548
(2-cyanophenyl)methyl carbamate
CID 66644204
1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
CID 135395590
(2-bromophenyl)methyl 3-sulfanylbenzoate
CID 107019010
2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide
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(2-bromophenyl)methyl (2S)-2-aminopropanoate
CID 82823528

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)methyl carbamate?
The IUPAC name of (3-bromo-2-chlorophenyl)methyl carbamate (CID 175597039) is (3-bromo-2-chlorophenyl)methyl carbamate.
What is the SMILES notation for (3-bromo-2-chlorophenyl)methyl carbamate?
The canonical SMILES for (3-bromo-2-chlorophenyl)methyl carbamate is NC(=O)OCc1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)methyl carbamate?
The InChIKey is MFHVNIPLJXXDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c9-6-3-1-2-5(7(6)10)4-13-8(11)12/h1-3H,4H2,(H2,11,12).
What are the key properties of (3-bromo-2-chlorophenyl)methyl carbamate?
(3-bromo-2-chlorophenyl)methyl carbamate has a molecular weight of 264.51 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)methyl carbamate is sourced from PubChem (CID 175597039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).