N-(4-bromophenyl)-N-(2-chloroethyl)carbamate

C9H8BrClNO2- — CID 57376239

IUPACN-(4-bromophenyl)-N-(2-chloroethyl)carbamate
SMILESO=C([O-])N(CCCl)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrClNO2/c10-7-1-3-8(4-2-7)12(6-5-11)9(13)14/h1-4H,5-6H2,(H,13,14)/p-1
InChIKeyOHCGKVGYSQKXMV-UHFFFAOYSA-M
MW277.53 g/mol
LogP1.84
Rot. Bonds3

About N-(4-bromophenyl)-N-(2-chloroethyl)carbamate

N-(4-bromophenyl)-N-(2-chloroethyl)carbamate (PubChem CID 57376239) has the molecular formula C9H8BrClNO2- and a molecular weight of 277.53 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(2-chloroethyl)carbamate.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(2-chloroethyl)carbamate
PubChem CID57376239
Molecular FormulaC9H8BrClNO2-
Molecular Weight277.53 g/mol
Exact Mass275.94
IUPAC NameN-(4-bromophenyl)-N-(2-chloroethyl)carbamate
SMILESO=C([O-])N(CCCl)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrClNO2/c10-7-1-3-8(4-2-7)12(6-5-11)9(13)14/h1-4H,5-6H2,(H,13,14)/p-1
InChIKeyOHCGKVGYSQKXMV-UHFFFAOYSA-M
XLogP1.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.53
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(4-methylphenyl)carbamate
CID 57353360
N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate
CID 57349497
N-[2-[bis(2-chloroethyl)amino]-2-oxoethyl]-N-phenylcarbamate
CID 57362028
[(2R,3R)-3-acetyloxy-1-[4-bromo-N-(2-chloroethyl)anilino]-4-tert-butylperoxy-1,4-dioxobutan-2-yl] acetate
CID 87314867
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
N-(4-chlorobut-2-ynyl)-N-(4-chlorophenyl)carbamate
CID 57350187
N-(4-methylphenyl)-N-octylcarbamate
CID 57360038
2-[bis[(4-bromophenyl)sulfanyl]phosphinothioylmethyl-(2-chloroethyl)amino]acetic acid
CID 88779049
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
N-(4-bromobutyl)-N-(4-bromophenyl)-2-oxopropanamide
CID 58613168
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-(2-chloroethyl)carbamate?
The IUPAC name of N-(4-bromophenyl)-N-(2-chloroethyl)carbamate (CID 57376239) is N-(4-bromophenyl)-N-(2-chloroethyl)carbamate.
What is the SMILES notation for N-(4-bromophenyl)-N-(2-chloroethyl)carbamate?
The canonical SMILES for N-(4-bromophenyl)-N-(2-chloroethyl)carbamate is O=C([O-])N(CCCl)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-(2-chloroethyl)carbamate?
The InChIKey is OHCGKVGYSQKXMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9BrClNO2/c10-7-1-3-8(4-2-7)12(6-5-11)9(13)14/h1-4H,5-6H2,(H,13,14)/p-1.
What are the key properties of N-(4-bromophenyl)-N-(2-chloroethyl)carbamate?
N-(4-bromophenyl)-N-(2-chloroethyl)carbamate has a molecular weight of 277.53 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(2-chloroethyl)carbamate is sourced from PubChem (CID 57376239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).