N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide

C20H13Cl2F2N3O3 — CID 60572464

IUPACN-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide
SMILESNc1c(Cl)cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)cc1Cl
InChIInChI=1S/C20H13Cl2F2N3O3/c21-15-6-13(7-16(22)18(15)25)27-20(30)14-2-1-12(8-17(14)28)26-19(29)9-3-10(23)5-11(24)4-9/h1-8,28H,25H2,(H,26,29)(H,27,30)
InChIKeyBHQMPZZSHQYPNB-UHFFFAOYSA-N
MW452.24 g/mol
LogP5.06
Rot. Bonds4

About N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide

N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide (PubChem CID 60572464) has the molecular formula C20H13Cl2F2N3O3 and a molecular weight of 452.24 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide
PubChem CID60572464
Molecular FormulaC20H13Cl2F2N3O3
Molecular Weight452.24 g/mol
Exact Mass451.03
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide
SMILESNc1c(Cl)cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)cc1Cl
InChIInChI=1S/C20H13Cl2F2N3O3/c21-15-6-13(7-16(22)18(15)25)27-20(30)14-2-1-12(8-17(14)28)26-19(29)9-3-10(23)5-11(24)4-9/h1-8,28H,25H2,(H,26,29)(H,27,30)
InChIKeyBHQMPZZSHQYPNB-UHFFFAOYSA-N
XLogP5.06
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.24
LogP ≤ 55.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
CID 63935702
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
4-amino-3,5-dichloro-N-(4-hydroxyphenyl)benzamide
CID 82832564
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide
CID 82811248
4-[(3,5-difluorobenzoyl)amino]-N-[1-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 86832004
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide
CID 100702200
4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide
CID 56562302

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide (CID 60572464) is N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide is Nc1c(Cl)cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide?
The InChIKey is BHQMPZZSHQYPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F2N3O3/c21-15-6-13(7-16(22)18(15)25)27-20(30)14-2-1-12(8-17(14)28)26-19(29)9-3-10(23)5-11(24)4-9/h1-8,28H,25H2,(H,26,29)(H,27,30).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide?
N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide has a molecular weight of 452.24 g/mol, XLogP of 5.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide is sourced from PubChem (CID 60572464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).