[2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid

C9H7BrClNO3 — CID 126618585

IUPAC[2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid
SMILESO=C(O)NCC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H7BrClNO3/c10-6-3-5(1-2-7(6)11)8(13)4-12-9(14)15/h1-3,12H,4H2,(H,14,15)
InChIKeyJNTFZAHICLCZIV-UHFFFAOYSA-N
MW292.52 g/mol
LogP2.55
Rot. Bonds3

About [2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid

[2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid (PubChem CID 126618585) has the molecular formula C9H7BrClNO3 and a molecular weight of 292.52 g/mol. Its IUPAC name is [2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid
PubChem CID126618585
Molecular FormulaC9H7BrClNO3
Molecular Weight292.52 g/mol
Exact Mass290.93
IUPAC Name[2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid
SMILESO=C(O)NCC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H7BrClNO3/c10-6-3-5(1-2-7(6)11)8(13)4-12-9(14)15/h1-3,12H,4H2,(H,14,15)
InChIKeyJNTFZAHICLCZIV-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-chlorophenyl)-3-chloropropan-1-one
CID 82124279
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1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 115565854
1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone
CID 115565944
1-(3-bromo-4-chlorophenyl)pent-4-yn-1-one
CID 115565804
3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103841455
1-(3-bromo-4-chlorophenyl)-4-phenylbutan-1-one
CID 115565858
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107997968
1-(3-bromo-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 113336903
5-[(3-bromo-4-chlorobenzoyl)amino]pentanoic acid
CID 107997905
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937
3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
CID 161088478

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid?
The IUPAC name of [2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid (CID 126618585) is [2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid is O=C(O)NCC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of [2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid?
The InChIKey is JNTFZAHICLCZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO3/c10-6-3-5(1-2-7(6)11)8(13)4-12-9(14)15/h1-3,12H,4H2,(H,14,15).
What are the key properties of [2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid?
[2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid has a molecular weight of 292.52 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 126618585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).