3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide

C14H20BrClN2O — CID 110620419

IUPAC3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H20BrClN2O/c1-4-18(5-2)10(3)9-17-14(19)11-6-12(15)8-13(16)7-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyGTXXLGXFKBVCMH-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.56
Rot. Bonds6

About 3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide

3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide (PubChem CID 110620419) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
PubChem CID110620419
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H20BrClN2O/c1-4-18(5-2)10(3)9-17-14(19)11-6-12(15)8-13(16)7-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyGTXXLGXFKBVCMH-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
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3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
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CID 107938080
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
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3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
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N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 52585751
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide (CID 110620419) is 3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide is CCN(CC)C(C)CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide?
The InChIKey is GTXXLGXFKBVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c1-4-18(5-2)10(3)9-17-14(19)11-6-12(15)8-13(16)7-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of 3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide?
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide has a molecular weight of 347.68 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide is sourced from PubChem (CID 110620419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).