(3-acetyl-2-bromophenyl) N-propylcarbamate

C12H14BrNO3 — CID 175190417

IUPAC(3-acetyl-2-bromophenyl) N-propylcarbamate
SMILESCCCNC(=O)Oc1cccc(C(C)=O)c1Br
InChIInChI=1S/C12H14BrNO3/c1-3-7-14-12(16)17-10-6-4-5-9(8(2)15)11(10)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyXWEFYZUPQORZQZ-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.15
Rot. Bonds4

About (3-acetyl-2-bromophenyl) N-propylcarbamate

(3-acetyl-2-bromophenyl) N-propylcarbamate (PubChem CID 175190417) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is (3-acetyl-2-bromophenyl) N-propylcarbamate.

Molecular Properties

Compound Name(3-acetyl-2-bromophenyl) N-propylcarbamate
PubChem CID175190417
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name(3-acetyl-2-bromophenyl) N-propylcarbamate
SMILESCCCNC(=O)Oc1cccc(C(C)=O)c1Br
InChIInChI=1S/C12H14BrNO3/c1-3-7-14-12(16)17-10-6-4-5-9(8(2)15)11(10)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyXWEFYZUPQORZQZ-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylphenyl) N-propylcarbamate
CID 127559161
[2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate
CID 89287038
[2-(2-formylbenzoyl)phenyl] N-propylcarbamate
CID 123406138
2-bromo-3-methoxy-N-pentylbenzamide
CID 172648074
2-hydroxy-3-(propylcarbamoyloxymethoxy)benzoic acid
CID 67797532
2-bromo-6-methoxy-N-propylbenzamide
CID 171934574
methyl 2-amino-3-(2-ethoxyethylcarbamoyloxy)benzoate
CID 154122397
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386
2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
CID 107983088
(2,3-dimethylphenyl) N-ethylcarbamate
CID 127545689
(2-methylphenyl) N-[6-[(2-methylphenoxy)carbonylamino]hexyl]carbamate
CID 4683579
2-propoxy-N-propylbenzamide
CID 58831728

Frequently Asked Questions

What is the IUPAC name of (3-acetyl-2-bromophenyl) N-propylcarbamate?
The IUPAC name of (3-acetyl-2-bromophenyl) N-propylcarbamate (CID 175190417) is (3-acetyl-2-bromophenyl) N-propylcarbamate.
What is the SMILES notation for (3-acetyl-2-bromophenyl) N-propylcarbamate?
The canonical SMILES for (3-acetyl-2-bromophenyl) N-propylcarbamate is CCCNC(=O)Oc1cccc(C(C)=O)c1Br.
What is the InChIKey of (3-acetyl-2-bromophenyl) N-propylcarbamate?
The InChIKey is XWEFYZUPQORZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-3-7-14-12(16)17-10-6-4-5-9(8(2)15)11(10)13/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of (3-acetyl-2-bromophenyl) N-propylcarbamate?
(3-acetyl-2-bromophenyl) N-propylcarbamate has a molecular weight of 300.15 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyl-2-bromophenyl) N-propylcarbamate is sourced from PubChem (CID 175190417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).