(3-bromophenyl) N-phenylcarbamate

C13H10BrNO2 — CID 786347

IUPAC(3-bromophenyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1cccc(Br)c1
InChIInChI=1S/C13H10BrNO2/c14-10-5-4-8-12(9-10)17-13(16)15-11-6-2-1-3-7-11/h1-9H,(H,15,16)
InChIKeyNZIOLOIADHBHOD-UHFFFAOYSA-N
MW292.13 g/mol
LogP4.06
Rot. Bonds2

About (3-bromophenyl) N-phenylcarbamate

(3-bromophenyl) N-phenylcarbamate (PubChem CID 786347) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is (3-bromophenyl) N-phenylcarbamate.

Molecular Properties

Compound Name(3-bromophenyl) N-phenylcarbamate
PubChem CID786347
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name(3-bromophenyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1cccc(Br)c1
InChIInChI=1S/C13H10BrNO2/c14-10-5-4-8-12(9-10)17-13(16)15-11-6-2-1-3-7-11/h1-9H,(H,15,16)
InChIKeyNZIOLOIADHBHOD-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Bromo-2(3H)-benzoxazolone
CID 29859
p-Methyoxyphenol carbanilate
CID 29508
Phenyl N-(P-anisyl)carbamate
CID 230348
2-(2-Bromophenoxy)ethyl phenylcarbamate
CID 2244776
2-phenoxyethyl N-phenylcarbamate
CID 346767
Phenyl [4-(dimethylamino)phenyl]carbamate
CID 895662
p-Aminophenyl p-hydroxycarbanilate
CID 254722
2-(4-bromophenoxy)ethyl N-(4-fluorophenyl)carbamate
CID 311374
phenyl N-(4-selenocyanatophenyl)carbamate
CID 118729590
2-(4-Bromophenoxy)ethyl phenylcarbamate
CID 2244778
Phenyl N-phenylcarbamate
CID 78644
4-Methoxyphenyl N-(4-methoxyphenyl)carbamate
CID 295171

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl) N-phenylcarbamate?
The IUPAC name of (3-bromophenyl) N-phenylcarbamate (CID 786347) is (3-bromophenyl) N-phenylcarbamate.
What is the SMILES notation for (3-bromophenyl) N-phenylcarbamate?
The canonical SMILES for (3-bromophenyl) N-phenylcarbamate is O=C(Nc1ccccc1)Oc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl) N-phenylcarbamate?
The InChIKey is NZIOLOIADHBHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c14-10-5-4-8-12(9-10)17-13(16)15-11-6-2-1-3-7-11/h1-9H,(H,15,16).
What are the key properties of (3-bromophenyl) N-phenylcarbamate?
(3-bromophenyl) N-phenylcarbamate has a molecular weight of 292.13 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl) N-phenylcarbamate is sourced from PubChem (CID 786347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).