N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide

C21H15ClF2N2O3 — CID 23562051

IUPACN-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccc(F)cc3F)cc2O)cc1
InChIInChI=1S/C21H15ClF2N2O3/c1-11-2-4-12(5-3-11)20(28)26-18-9-15(22)17(10-19(18)27)25-21(29)14-7-6-13(23)8-16(14)24/h2-10,27H,1H3,(H,25,29)(H,26,28)
InChIKeyAXENQDMAZKHNRZ-UHFFFAOYSA-N
MW416.81 g/mol
LogP5.14
Rot. Bonds4

About N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide

N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide (PubChem CID 23562051) has the molecular formula C21H15ClF2N2O3 and a molecular weight of 416.81 g/mol. Its IUPAC name is N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide
PubChem CID23562051
Molecular FormulaC21H15ClF2N2O3
Molecular Weight416.81 g/mol
Exact Mass416.07
IUPAC NameN-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccc(F)cc3F)cc2O)cc1
InChIInChI=1S/C21H15ClF2N2O3/c1-11-2-4-12(5-3-11)20(28)26-18-9-15(22)17(10-19(18)27)25-21(29)14-7-6-13(23)8-16(14)24/h2-10,27H,1H3,(H,25,29)(H,26,28)
InChIKeyAXENQDMAZKHNRZ-UHFFFAOYSA-N
XLogP5.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.81
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725738
4-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 103769423
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209648

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide (CID 23562051) is N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide is Cc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccc(F)cc3F)cc2O)cc1.
What is the InChIKey of N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide?
The InChIKey is AXENQDMAZKHNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O3/c1-11-2-4-12(5-3-11)20(28)26-18-9-15(22)17(10-19(18)27)25-21(29)14-7-6-13(23)8-16(14)24/h2-10,27H,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide?
N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide has a molecular weight of 416.81 g/mol, XLogP of 5.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 23562051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).