2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide

C19H22BrN3O — CID 39737929

IUPAC2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C19H22BrN3O/c1-2-22-11-13-23(14-12-22)18-10-6-5-9-17(18)21-19(24)15-7-3-4-8-16(15)20/h3-10H,2,11-14H2,1H3,(H,21,24)
InChIKeyJDQOVXBKJNWNLY-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.84
Rot. Bonds4

About 2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide

2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide (PubChem CID 39737929) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
PubChem CID39737929
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C19H22BrN3O/c1-2-22-11-13-23(14-12-22)18-10-6-5-9-17(18)21-19(24)15-7-3-4-8-16(15)20/h3-10H,2,11-14H2,1H3,(H,21,24)
InChIKeyJDQOVXBKJNWNLY-UHFFFAOYSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
CID 99147654
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 91675791
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901051
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 39911869
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16563640
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51111979
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 51237518

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide (CID 39737929) is 2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide is CCN1CCN(c2ccccc2NC(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is JDQOVXBKJNWNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-2-22-11-13-23(14-12-22)18-10-6-5-9-17(18)21-19(24)15-7-3-4-8-16(15)20/h3-10H,2,11-14H2,1H3,(H,21,24).
What are the key properties of 2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide?
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 388.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 39737929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).