(2-bromophenyl)carbamic acid

C7H6BrNO2 — CID 15021878

IUPAC(2-bromophenyl)carbamic acid
SMILESO=C(O)Nc1ccccc1Br
InChIInChI=1S/C7H6BrNO2/c8-5-3-1-2-4-6(5)9-7(10)11/h1-4,9H,(H,10,11)
InChIKeyFTEZEFRVMRFCJL-UHFFFAOYSA-N
MW216.03 g/mol
LogP2.54
Rot. Bonds1

About (2-bromophenyl)carbamic acid

(2-bromophenyl)carbamic acid (PubChem CID 15021878) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is (2-bromophenyl)carbamic acid.

Molecular Properties

Compound Name(2-bromophenyl)carbamic acid
PubChem CID15021878
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name(2-bromophenyl)carbamic acid
SMILESO=C(O)Nc1ccccc1Br
InChIInChI=1S/C7H6BrNO2/c8-5-3-1-2-4-6(5)9-7(10)11/h1-4,9H,(H,10,11)
InChIKeyFTEZEFRVMRFCJL-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
5-[(2-bromophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687619
2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61266140
1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
CID 23819618
(E)-3-(2-bromoanilino)-1,3-diphenylprop-2-en-1-one
CID 15112394
benzyl N-(2-bromophenyl)carbamate
CID 4935706
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-(2-bromophenyl)butanamide
CID 732405

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)carbamic acid?
The IUPAC name of (2-bromophenyl)carbamic acid (CID 15021878) is (2-bromophenyl)carbamic acid.
What is the SMILES notation for (2-bromophenyl)carbamic acid?
The canonical SMILES for (2-bromophenyl)carbamic acid is O=C(O)Nc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)carbamic acid?
The InChIKey is FTEZEFRVMRFCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c8-5-3-1-2-4-6(5)9-7(10)11/h1-4,9H,(H,10,11).
What are the key properties of (2-bromophenyl)carbamic acid?
(2-bromophenyl)carbamic acid has a molecular weight of 216.03 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)carbamic acid is sourced from PubChem (CID 15021878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).