[3-(4-bromophenoxy)phenyl]carbamic acid

C13H10BrNO3 — CID 138629295

IUPAC[3-(4-bromophenoxy)phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C13H10BrNO3/c14-9-4-6-11(7-5-9)18-12-3-1-2-10(8-12)15-13(16)17/h1-8,15H,(H,16,17)
InChIKeyQMJWKBUCXJNRDC-UHFFFAOYSA-N
MW308.13 g/mol
LogP4.33
Rot. Bonds3

About [3-(4-bromophenoxy)phenyl]carbamic acid

[3-(4-bromophenoxy)phenyl]carbamic acid (PubChem CID 138629295) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is [3-(4-bromophenoxy)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-(4-bromophenoxy)phenyl]carbamic acid
PubChem CID138629295
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name[3-(4-bromophenoxy)phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C13H10BrNO3/c14-9-4-6-11(7-5-9)18-12-3-1-2-10(8-12)15-13(16)17/h1-8,15H,(H,16,17)
InChIKeyQMJWKBUCXJNRDC-UHFFFAOYSA-N
XLogP4.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea
CID 11177011
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
CID 67275396
(4-bromophenyl) 3-phenoxybenzoate
CID 7900834
3-(4-bromophenoxy)-N-methylbenzamide
CID 169337021
N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 4169968
(2E)-2-hydroxyimino-N-(3-phenoxyphenyl)acetamide
CID 10988880
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenoxy)phenyl]carbamic acid?
The IUPAC name of [3-(4-bromophenoxy)phenyl]carbamic acid (CID 138629295) is [3-(4-bromophenoxy)phenyl]carbamic acid.
What is the SMILES notation for [3-(4-bromophenoxy)phenyl]carbamic acid?
The canonical SMILES for [3-(4-bromophenoxy)phenyl]carbamic acid is O=C(O)Nc1cccc(Oc2ccc(Br)cc2)c1.
What is the InChIKey of [3-(4-bromophenoxy)phenyl]carbamic acid?
The InChIKey is QMJWKBUCXJNRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c14-9-4-6-11(7-5-9)18-12-3-1-2-10(8-12)15-13(16)17/h1-8,15H,(H,16,17).
What are the key properties of [3-(4-bromophenoxy)phenyl]carbamic acid?
[3-(4-bromophenoxy)phenyl]carbamic acid has a molecular weight of 308.13 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenoxy)phenyl]carbamic acid is sourced from PubChem (CID 138629295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).