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

C14H11ClFNO3 — CID 81284263

IUPACN-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(O)cc2Cl)ccc1F
InChIInChI=1S/C14H11ClFNO3/c1-20-13-6-8(2-4-11(13)16)14(19)17-12-5-3-9(18)7-10(12)15/h2-7,18H,1H3,(H,17,19)
InChIKeyRKXZWVBGAKCELY-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.45
Rot. Bonds3

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

N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide (PubChem CID 81284263) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
PubChem CID81284263
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(O)cc2Cl)ccc1F
InChIInChI=1S/C14H11ClFNO3/c1-20-13-6-8(2-4-11(13)16)14(19)17-12-5-3-9(18)7-10(12)15/h2-7,18H,1H3,(H,17,19)
InChIKeyRKXZWVBGAKCELY-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
CID 65434031
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
N-(2-fluoro-4-hydroxyphenyl)-3-methoxy-4-methylbenzamide
CID 64795336
N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 86605166
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283939
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64788114
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide (CID 81284263) is N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(O)cc2Cl)ccc1F.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is RKXZWVBGAKCELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-20-13-6-8(2-4-11(13)16)14(19)17-12-5-3-9(18)7-10(12)15/h2-7,18H,1H3,(H,17,19).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide?
N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide has a molecular weight of 295.70 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81284263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).