N-[2-(3-bromophenyl)ethyl]benzamide

C15H14BrNO — CID 90847047

IUPACN-[2-(3-bromophenyl)ethyl]benzamide
SMILESO=C(NCCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrNO/c16-14-8-4-5-12(11-14)9-10-17-15(18)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,17,18)
InChIKeyCTTJHBVDMCQPAD-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(3-bromophenyl)ethyl]benzamide

N-[2-(3-bromophenyl)ethyl]benzamide (PubChem CID 90847047) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]benzamide
PubChem CID90847047
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-[2-(3-bromophenyl)ethyl]benzamide
SMILESO=C(NCCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrNO/c16-14-8-4-5-12(11-14)9-10-17-15(18)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,17,18)
InChIKeyCTTJHBVDMCQPAD-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-[2-(3-bromophenyl)ethylcarbamoylamino]benzoic acid
CID 108901553
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
3-bromo-N-(2-pyrimidin-5-ylethyl)benzamide
CID 91813323
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
N-[2-(5-bromothiophen-3-yl)ethyl]benzamide
CID 67335982
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
3-[2-[(5-bromothiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 63794042

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]benzamide?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]benzamide (CID 90847047) is N-[2-(3-bromophenyl)ethyl]benzamide.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]benzamide?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]benzamide is O=C(NCCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]benzamide?
The InChIKey is CTTJHBVDMCQPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-14-8-4-5-12(11-14)9-10-17-15(18)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,17,18).
What are the key properties of N-[2-(3-bromophenyl)ethyl]benzamide?
N-[2-(3-bromophenyl)ethyl]benzamide has a molecular weight of 304.19 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]benzamide is sourced from PubChem (CID 90847047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).