N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide

C22H15F2N5O2 — CID 141449324

IUPACN-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc2c(Nc3ccc(F)cc3F)ncnc2c1
InChIInChI=1S/C22H15F2N5O2/c23-14-6-9-18(17(24)10-14)28-20-16-8-7-15(11-19(16)25-12-26-20)27-22(31)29-21(30)13-4-2-1-3-5-13/h1-12H,(H,25,26,28)(H2,27,29,30,31)
InChIKeyHKWJDQIUDZNSNB-UHFFFAOYSA-N
MW419.39 g/mol
LogP4.61
Rot. Bonds4

About N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide

N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide (PubChem CID 141449324) has the molecular formula C22H15F2N5O2 and a molecular weight of 419.39 g/mol. Its IUPAC name is N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide
PubChem CID141449324
Molecular FormulaC22H15F2N5O2
Molecular Weight419.39 g/mol
Exact Mass419.12
IUPAC NameN-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc2c(Nc3ccc(F)cc3F)ncnc2c1
InChIInChI=1S/C22H15F2N5O2/c23-14-6-9-18(17(24)10-14)28-20-16-8-7-15(11-19(16)25-12-26-20)27-22(31)29-21(30)13-4-2-1-3-5-13/h1-12H,(H,25,26,28)(H2,27,29,30,31)
InChIKeyHKWJDQIUDZNSNB-UHFFFAOYSA-N
XLogP4.61
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-bromo-2-fluoroanilino)quinazolin-7-yl]carbamoyl]-2,4-difluorobenzamide
CID 141449305
N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide
CID 141449370
1-[4-(2-chloroanilino)quinazolin-7-yl]-3-phenylurea
CID 141452331
N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide
CID 71470718
N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
CID 141449293
1-[3-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547533
N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluorophenyl]benzamide;hydrochloride
CID 22732318
N-(2,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434738
N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide
CID 2985483
4-[2-[[4-(4-fluoroanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 175520373
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
1-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]-3-(2,4-difluorophenyl)urea
CID 129010604

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide?
The IUPAC name of N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide (CID 141449324) is N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide.
What is the SMILES notation for N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide?
The canonical SMILES for N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)Nc1ccc2c(Nc3ccc(F)cc3F)ncnc2c1.
What is the InChIKey of N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide?
The InChIKey is HKWJDQIUDZNSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O2/c23-14-6-9-18(17(24)10-14)28-20-16-8-7-15(11-19(16)25-12-26-20)27-22(31)29-21(30)13-4-2-1-3-5-13/h1-12H,(H,25,26,28)(H2,27,29,30,31).
What are the key properties of N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide?
N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide has a molecular weight of 419.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluoroanilino)quinazolin-7-yl]carbamoyl]benzamide is sourced from PubChem (CID 141449324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).