(4-chlorophenyl) N-(3-bromopropanoyl)carbamate

C10H9BrClNO3 — CID 2272980

IUPAC(4-chlorophenyl) N-(3-bromopropanoyl)carbamate
SMILESO=C(CCBr)NC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H9BrClNO3/c11-6-5-9(14)13-10(15)16-8-3-1-7(12)2-4-8/h1-4H,5-6H2,(H,13,14,15)
InChIKeyAHAIPTHIQSYMCL-UHFFFAOYSA-N
MW306.54 g/mol
LogP2.74
Rot. Bonds3

About (4-chlorophenyl) N-(3-bromopropanoyl)carbamate

(4-chlorophenyl) N-(3-bromopropanoyl)carbamate (PubChem CID 2272980) has the molecular formula C10H9BrClNO3 and a molecular weight of 306.54 g/mol. Its IUPAC name is (4-chlorophenyl) N-(3-bromopropanoyl)carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-(3-bromopropanoyl)carbamate
PubChem CID2272980
Molecular FormulaC10H9BrClNO3
Molecular Weight306.54 g/mol
Exact Mass304.95
IUPAC Name(4-chlorophenyl) N-(3-bromopropanoyl)carbamate
SMILESO=C(CCBr)NC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H9BrClNO3/c11-6-5-9(14)13-10(15)16-8-3-1-7(12)2-4-8/h1-4H,5-6H2,(H,13,14,15)
InChIKeyAHAIPTHIQSYMCL-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate
CID 59518611
[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
CID 1381182
[4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate
CID 91140586
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
(4-chlorophenyl) 2-bromobutanoate
CID 54235424
(4-chlorophenyl) acetate
CID 13410
phenyl N-(2-aminoacetyl)carbamate
CID 20596874
bis(4-chlorophenoxy)methanimine
CID 15716338
[4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate
CID 14727335
(4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate
CID 141050189
(4-bromophenyl) N-oxamoylcarbamate
CID 171934087
(4-chlorophenyl) pentanoate
CID 532709

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-(3-bromopropanoyl)carbamate?
The IUPAC name of (4-chlorophenyl) N-(3-bromopropanoyl)carbamate (CID 2272980) is (4-chlorophenyl) N-(3-bromopropanoyl)carbamate.
What is the SMILES notation for (4-chlorophenyl) N-(3-bromopropanoyl)carbamate?
The canonical SMILES for (4-chlorophenyl) N-(3-bromopropanoyl)carbamate is O=C(CCBr)NC(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) N-(3-bromopropanoyl)carbamate?
The InChIKey is AHAIPTHIQSYMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO3/c11-6-5-9(14)13-10(15)16-8-3-1-7(12)2-4-8/h1-4H,5-6H2,(H,13,14,15).
What are the key properties of (4-chlorophenyl) N-(3-bromopropanoyl)carbamate?
(4-chlorophenyl) N-(3-bromopropanoyl)carbamate has a molecular weight of 306.54 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-(3-bromopropanoyl)carbamate is sourced from PubChem (CID 2272980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).