3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide

C16H16ClNO2 — CID 40648027

IUPAC3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-11(15(19)12-6-3-2-4-7-12)18-16(20)13-8-5-9-14(17)10-13/h2-11,15,19H,1H3,(H,18,20)/t11-,15+/m1/s1
InChIKeyRCKICHBZNYAKSC-ABAIWWIYSA-N
MW289.76 g/mol
LogP3.19
Rot. Bonds4

About 3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide

3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide (PubChem CID 40648027) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
PubChem CID40648027
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-11(15(19)12-6-3-2-4-7-12)18-16(20)13-8-5-9-14(17)10-13/h2-11,15,19H,1H3,(H,18,20)/t11-,15+/m1/s1
InChIKeyRCKICHBZNYAKSC-ABAIWWIYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 154861680
3-chloro-N-propan-2-ylbenzamide
CID 669184
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide
CID 70989888
3-chloro-N-[(2S)-3-hydroxybut-3-en-2-yl]benzamide
CID 145361374
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 44763350
3-chloro-N-(3-oxobutan-2-yl)benzamide
CID 64997142
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542
5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 58185158
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide (CID 40648027) is 3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide is C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](O)c1ccccc1.
What is the InChIKey of 3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide?
The InChIKey is RCKICHBZNYAKSC-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11(15(19)12-6-3-2-4-7-12)18-16(20)13-8-5-9-14(17)10-13/h2-11,15,19H,1H3,(H,18,20)/t11-,15+/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide?
3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 40648027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).