3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide

C16H16ClNO2 — CID 107097712

IUPAC3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-11-13(8-5-9-14(11)17)16(20)18-10-15(19)12-6-3-2-4-7-12/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyBSUPTYAVRAIQJN-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.11
Rot. Bonds4

About 3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide

3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide (PubChem CID 107097712) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
PubChem CID107097712
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-11-13(8-5-9-14(11)17)16(20)18-10-15(19)12-6-3-2-4-7-12/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyBSUPTYAVRAIQJN-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 115930153
2-[[(3-chloro-2-methylbenzoyl)amino]methyl]-3-methylbutanoic acid
CID 107095969
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451
2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
CID 7189543
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
CID 43461464
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 111452346

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide (CID 107097712) is 3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide?
The InChIKey is BSUPTYAVRAIQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-13(8-5-9-14(11)17)16(20)18-10-15(19)12-6-3-2-4-7-12/h2-9,15,19H,10H2,1H3,(H,18,20).
What are the key properties of 3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide?
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide is sourced from PubChem (CID 107097712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).