3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide

C20H22BrNO2 — CID 99983094

IUPAC3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide
SMILESO=C(CCc1ccccc1Br)NC[C@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C20H22BrNO2/c21-18-9-5-4-6-15(18)10-13-19(23)22-14-20(24,17-11-12-17)16-7-2-1-3-8-16/h1-9,17,24H,10-14H2,(H,22,23)/t20-/m0/s1
InChIKeyYQPLQYKXGOLGLG-FQEVSTJZSA-N
MW388.31 g/mol
LogP3.80
Rot. Bonds7

About 3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide

3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide (PubChem CID 99983094) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide
PubChem CID99983094
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide
SMILESO=C(CCc1ccccc1Br)NC[C@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C20H22BrNO2/c21-18-9-5-4-6-15(18)10-13-19(23)22-14-20(24,17-11-12-17)16-7-2-1-3-8-16/h1-9,17,24H,10-14H2,(H,22,23)/t20-/m0/s1
InChIKeyYQPLQYKXGOLGLG-FQEVSTJZSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388
1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea
CID 95379625
2-bromo-N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]benzamide
CID 122243831
N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119643020
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-bromophenyl)propanamide
CID 119575176
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
3-(2-bromophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 55822824
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119575175
4-[3-(2-bromophenyl)propanoylamino]butanoic acid
CID 75428748
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
CID 90535556
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
CID 71781709
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
CID 90535558

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide (CID 99983094) is 3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide is O=C(CCc1ccccc1Br)NC[C@](O)(c1ccccc1)C1CC1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide?
The InChIKey is YQPLQYKXGOLGLG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22BrNO2/c21-18-9-5-4-6-15(18)10-13-19(23)22-14-20(24,17-11-12-17)16-7-2-1-3-8-16/h1-9,17,24H,10-14H2,(H,22,23)/t20-/m0/s1.
What are the key properties of 3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide?
3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide has a molecular weight of 388.31 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide is sourced from PubChem (CID 99983094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).