N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide

C21H16FN5O — CID 71470718

IUPACN-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C21H16FN5O/c22-14-7-10-17(23)19(11-14)27-21(28)13-5-8-15(9-6-13)26-20-16-3-1-2-4-18(16)24-12-25-20/h1-12H,23H2,(H,27,28)(H,24,25,26)
InChIKeyDJRGPALUPZKCOT-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.35
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide

N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide (PubChem CID 71470718) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide
PubChem CID71470718
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC NameN-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C21H16FN5O/c22-14-7-10-17(23)19(11-14)27-21(28)13-5-8-15(9-6-13)26-20-16-3-1-2-4-18(16)24-12-25-20/h1-12H,23H2,(H,27,28)(H,24,25,26)
InChIKeyDJRGPALUPZKCOT-UHFFFAOYSA-N
XLogP4.35
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide (CID 71470718) is N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide is Nc1ccc(F)cc1NC(=O)c1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide?
The InChIKey is DJRGPALUPZKCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-14-7-10-17(23)19(11-14)27-21(28)13-5-8-15(9-6-13)26-20-16-3-1-2-4-18(16)24-12-25-20/h1-12H,23H2,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide?
N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide has a molecular weight of 373.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide is sourced from PubChem (CID 71470718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).