5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide

C16H15BrClNO2 — CID 58185158

IUPAC5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Cl)C(O)c1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-10(15(20)11-5-3-2-4-6-11)19-16(21)13-9-12(17)7-8-14(13)18/h2-10,15,20H,1H3,(H,19,21)
InChIKeyDSIHKYGDHKIVHQ-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.95
Rot. Bonds4

About 5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide

5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide (PubChem CID 58185158) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
PubChem CID58185158
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Cl)C(O)c1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-10(15(20)11-5-3-2-4-6-11)19-16(21)13-9-12(17)7-8-14(13)18/h2-10,15,20H,1H3,(H,19,21)
InChIKeyDSIHKYGDHKIVHQ-UHFFFAOYSA-N
XLogP3.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide
CID 54110010
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 40648027
5-bromo-2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798744
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-methylquinoline-4-carboxamide
CID 71913323
N-[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-methylquinoline-4-carboxamide
CID 97068002
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide (CID 58185158) is 5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide is CC(NC(=O)c1cc(Br)ccc1Cl)C(O)c1ccccc1.
What is the InChIKey of 5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide?
The InChIKey is DSIHKYGDHKIVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10(15(20)11-5-3-2-4-6-11)19-16(21)13-9-12(17)7-8-14(13)18/h2-10,15,20H,1H3,(H,19,21).
What are the key properties of 5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide?
5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide has a molecular weight of 368.66 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 58185158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).