3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide

C12H14Br2ClNO — CID 107941380

IUPAC3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide
SMILESCCN(CCCBr)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H14Br2ClNO/c1-2-16(5-3-4-13)12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5H2,1H3
InChIKeyOFKBEXRAAJMQOX-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.35
Rot. Bonds5

About 3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide

3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide (PubChem CID 107941380) has the molecular formula C12H14Br2ClNO and a molecular weight of 383.51 g/mol. Its IUPAC name is 3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide
PubChem CID107941380
Molecular FormulaC12H14Br2ClNO
Molecular Weight383.51 g/mol
Exact Mass380.91
IUPAC Name3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide
SMILESCCN(CCCBr)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H14Br2ClNO/c1-2-16(5-3-4-13)12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5H2,1H3
InChIKeyOFKBEXRAAJMQOX-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.35
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

2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid
CID 107937807
3-bromo-N-(3-bromopropyl)-5-chloro-N-cyclobutylbenzamide
CID 107941502
3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 113286144
methyl 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetate
CID 103826884
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
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CID 106441473
3-bromo-N-[2-(2-bromoethoxy)ethyl]-5-chloro-N-methylbenzamide
CID 114242851
3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930
N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide
CID 80665958
N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 80661039
3-chloro-N-(2-chloroethyl)-N-ethyl-5-methylbenzamide
CID 81324424
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 114019948

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide?
The IUPAC name of 3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide (CID 107941380) is 3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide.
What is the SMILES notation for 3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide?
The canonical SMILES for 3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide is CCN(CCCBr)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide?
The InChIKey is OFKBEXRAAJMQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2ClNO/c1-2-16(5-3-4-13)12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5H2,1H3.
What are the key properties of 3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide?
3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide has a molecular weight of 383.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide is sourced from PubChem (CID 107941380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).