4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide

C16H17BrN2O2 — CID 43742098

IUPAC4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c17-14-3-1-2-12(10-14)11-19-15-6-4-13(5-7-15)16(21)18-8-9-20/h1-7,10,19-20H,8-9,11H2,(H,18,21)
InChIKeySLZQDQPKAZSTQF-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.78
Rot. Bonds6

About 4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide

4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 43742098) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID43742098
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c17-14-3-1-2-12(10-14)11-19-15-6-4-13(5-7-15)16(21)18-8-9-20/h1-7,10,19-20H,8-9,11H2,(H,18,21)
InChIKeySLZQDQPKAZSTQF-UHFFFAOYSA-N
XLogP2.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
CID 43230444
4-[(3-bromophenyl)methylamino]benzenecarbothioamide
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CID 90847047
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
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2-[4-[(3-bromophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713933
N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111778065
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
1-[(3-bromophenyl)methyl]-3-(2-hydroxyethyl)thiourea
CID 59050729
N-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
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2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
CID 2960455
2-[(3-bromophenyl)methylamino]ethanol chloride
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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide (CID 43742098) is 4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(NCc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is SLZQDQPKAZSTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-14-3-1-2-12(10-14)11-19-15-6-4-13(5-7-15)16(21)18-8-9-20/h1-7,10,19-20H,8-9,11H2,(H,18,21).
What are the key properties of 4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 349.23 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 43742098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).