N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide

C12H14BrCl2NO — CID 80665677

IUPACN-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide
SMILESCC(C)N(CCBr)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-8(2)16(7-6-13)12(17)9-4-3-5-10(14)11(9)15/h3-5,8H,6-7H2,1-2H3
InChIKeyFJQXZOGEPPSWNS-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.24
Rot. Bonds4

About N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide

N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide (PubChem CID 80665677) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide
PubChem CID80665677
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC NameN-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide
SMILESCC(C)N(CCBr)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-8(2)16(7-6-13)12(17)9-4-3-5-10(14)11(9)15/h3-5,8H,6-7H2,1-2H3
InChIKeyFJQXZOGEPPSWNS-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2-chloro-5-hydroxy-N-propan-2-ylbenzamide
CID 106503099
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
N-(2-bromoethyl)-4-chloro-2-hydroxy-N-propan-2-ylbenzamide
CID 80666528
N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide
CID 80666192
2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
CID 107983921
3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide
CID 107097730
N-(2-bromoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 80666191
2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 81461932
2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345881
N-(2-bromoethyl)-3-chloro-4-fluoro-N-propan-2-ylbenzamide
CID 82879335
2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 115540290
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide (CID 80665677) is N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide is CC(C)N(CCBr)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide?
The InChIKey is FJQXZOGEPPSWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-8(2)16(7-6-13)12(17)9-4-3-5-10(14)11(9)15/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide?
N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide has a molecular weight of 339.06 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide is sourced from PubChem (CID 80665677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).