2-bromo-5-chloro-N,N-dipropylbenzamide

C13H17BrClNO — CID 78849542

IUPAC2-bromo-5-chloro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H17BrClNO/c1-3-7-16(8-4-2)13(17)11-9-10(15)5-6-12(11)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyIAXTWZMBOKIDIW-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.36
Rot. Bonds5

About 2-bromo-5-chloro-N,N-dipropylbenzamide

2-bromo-5-chloro-N,N-dipropylbenzamide (PubChem CID 78849542) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 2-bromo-5-chloro-N,N-dipropylbenzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N,N-dipropylbenzamide
PubChem CID78849542
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name2-bromo-5-chloro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H17BrClNO/c1-3-7-16(8-4-2)13(17)11-9-10(15)5-6-12(11)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyIAXTWZMBOKIDIW-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 75516401
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2,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
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2-bromo-5-chloro-N,N-dimethylbenzamide
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2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
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CID 81005126
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CID 107988333
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
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CID 103614267

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N,N-dipropylbenzamide?
The IUPAC name of 2-bromo-5-chloro-N,N-dipropylbenzamide (CID 78849542) is 2-bromo-5-chloro-N,N-dipropylbenzamide.
What is the SMILES notation for 2-bromo-5-chloro-N,N-dipropylbenzamide?
The canonical SMILES for 2-bromo-5-chloro-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N,N-dipropylbenzamide?
The InChIKey is IAXTWZMBOKIDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-3-7-16(8-4-2)13(17)11-9-10(15)5-6-12(11)14/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-bromo-5-chloro-N,N-dipropylbenzamide?
2-bromo-5-chloro-N,N-dipropylbenzamide has a molecular weight of 318.64 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N,N-dipropylbenzamide is sourced from PubChem (CID 78849542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).