N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide

C16H15ClFNO2 — CID 111451028

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(O)c2ccccc2Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2/c1-10-8-11(6-7-14(10)18)16(21)19-9-15(20)12-4-2-3-5-13(12)17/h2-8,15,20H,9H2,1H3,(H,19,21)
InChIKeyPTJISFSHYIOSGW-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.25
Rot. Bonds4

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide (PubChem CID 111451028) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
PubChem CID111451028
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(O)c2ccccc2Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2/c1-10-8-11(6-7-14(10)18)16(21)19-9-15(20)12-4-2-3-5-13(12)17/h2-8,15,20H,9H2,1H3,(H,19,21)
InChIKeyPTJISFSHYIOSGW-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
CID 111791703
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
CID 114295622
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 122140846
4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 111447266
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
CID 59689109
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol
CID 82818248
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide (CID 111451028) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCC(O)c2ccccc2Cl)ccc1F.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide?
The InChIKey is PTJISFSHYIOSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10-8-11(6-7-14(10)18)16(21)19-9-15(20)12-4-2-3-5-13(12)17/h2-8,15,20H,9H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide has a molecular weight of 307.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 111451028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).