5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide

C17H17BrClNO — CID 17327083

IUPAC5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C17H17BrClNO/c1-3-12-4-6-13(7-5-12)11(2)20-17(21)15-10-14(18)8-9-16(15)19/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyHGDPEQAEJUINLQ-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.16
Rot. Bonds4

About 5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide

5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide (PubChem CID 17327083) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
PubChem CID17327083
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C17H17BrClNO/c1-3-12-4-6-13(7-5-12)11(2)20-17(21)15-10-14(18)8-9-16(15)19/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyHGDPEQAEJUINLQ-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 55582791
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
5-(azepan-1-ylsulfonyl)-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133162556
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide (CID 17327083) is 5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide is CCc1ccc(C(C)NC(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide?
The InChIKey is HGDPEQAEJUINLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-3-12-4-6-13(7-5-12)11(2)20-17(21)15-10-14(18)8-9-16(15)19/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide?
5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide has a molecular weight of 366.69 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide is sourced from PubChem (CID 17327083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).