2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide

C16H15BrClNO2 — CID 100696524

IUPAC2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
SMILESO=C(NCC[C@@H](O)c1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C16H15BrClNO2/c17-14-7-2-1-6-13(14)16(21)19-9-8-15(20)11-4-3-5-12(18)10-11/h1-7,10,15,20H,8-9H2,(H,19,21)/t15-/m1/s1
InChIKeyBYXOHHOBAYIDOH-OAHLLOKOSA-N
MW368.66 g/mol
LogP3.96
Rot. Bonds5

About 2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide

2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide (PubChem CID 100696524) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
PubChem CID100696524
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
SMILESO=C(NCC[C@@H](O)c1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C16H15BrClNO2/c17-14-7-2-1-6-13(14)16(21)19-9-8-15(20)11-4-3-5-12(18)10-11/h1-7,10,15,20H,8-9H2,(H,19,21)/t15-/m1/s1
InChIKeyBYXOHHOBAYIDOH-OAHLLOKOSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-hydroxy-3-phenylpropyl)-2-methylbenzamide
CID 111471803
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
CID 100696177
4-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006274
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 91624378
2-bromo-N-[3-(3-chlorophenyl)prop-2-ynyl]benzamide
CID 90548408

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide?
The IUPAC name of 2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide (CID 100696524) is 2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide is O=C(NCC[C@@H](O)c1cccc(Cl)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide?
The InChIKey is BYXOHHOBAYIDOH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c17-14-7-2-1-6-13(14)16(21)19-9-8-15(20)11-4-3-5-12(18)10-11/h1-7,10,15,20H,8-9H2,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide?
2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide has a molecular weight of 368.66 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 100696524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).