2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide

C12H7Cl2FN2O2 — CID 17394617

IUPAC2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESO=C(Nc1ncccc1O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2FN2O2/c13-7-5-8(14)9(15)4-6(7)12(19)17-11-10(18)2-1-3-16-11/h1-5,18H,(H,16,17,19)
InChIKeyDVHBGQLWRDVUHC-UHFFFAOYSA-N
MW301.10 g/mol
LogP3.49
Rot. Bonds2

About 2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide

2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide (PubChem CID 17394617) has the molecular formula C12H7Cl2FN2O2 and a molecular weight of 301.10 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide
PubChem CID17394617
Molecular FormulaC12H7Cl2FN2O2
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Name2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESO=C(Nc1ncccc1O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2FN2O2/c13-7-5-8(14)9(15)4-6(7)12(19)17-11-10(18)2-1-3-16-11/h1-5,18H,(H,16,17,19)
InChIKeyDVHBGQLWRDVUHC-UHFFFAOYSA-N
XLogP3.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653408
5-bromo-2-chloro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 25332846
5-chloro-N-(3-hydroxy-2-pyridinyl)-2-iodobenzamide
CID 52875609
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
2-[(2-chloro-5-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 106500292
N-(3-amino-2-pyridinyl)-2,5-dichlorobenzamide
CID 113391799
2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103893012
N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
CID 103943536
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
CID 102610397
3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide
CID 115597396

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide (CID 17394617) is 2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide is O=C(Nc1ncccc1O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide?
The InChIKey is DVHBGQLWRDVUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O2/c13-7-5-8(14)9(15)4-6(7)12(19)17-11-10(18)2-1-3-16-11/h1-5,18H,(H,16,17,19).
What are the key properties of 2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide?
2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide has a molecular weight of 301.10 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide is sourced from PubChem (CID 17394617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).