3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide

C14H11ClFNO2 — CID 107097222

IUPAC3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H11ClFNO2/c1-8-10(3-2-4-11(8)15)14(19)17-9-5-6-13(18)12(16)7-9/h2-7,18H,1H3,(H,17,19)
InChIKeyMNIZSYPMOOLOAI-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.75
Rot. Bonds2

About 3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide

3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide (PubChem CID 107097222) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
PubChem CID107097222
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H11ClFNO2/c1-8-10(3-2-4-11(8)15)14(19)17-9-5-6-13(18)12(16)7-9/h2-7,18H,1H3,(H,17,19)
InChIKeyMNIZSYPMOOLOAI-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087
3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 107143571
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 79039798
N-(3-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64781251
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide (CID 107097222) is 3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of 3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide?
The InChIKey is MNIZSYPMOOLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-8-10(3-2-4-11(8)15)14(19)17-9-5-6-13(18)12(16)7-9/h2-7,18H,1H3,(H,17,19).
What are the key properties of 3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide?
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide has a molecular weight of 279.70 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 107097222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).