N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide

C34H22BrClN4O2 — CID 3393885

IUPACN-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide
SMILESO=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C34H22BrClN4O2/c35-24-13-17-30(28(19-24)32(41)22-9-5-2-6-10-22)38-33(42)23-11-15-26(16-12-23)37-34-39-29-18-14-25(36)20-27(29)31(40-34)21-7-3-1-4-8-21/h1-20H,(H,38,42)(H,37,39,40)
InChIKeyWLJDCBGOLURSJF-UHFFFAOYSA-N
MW633.93 g/mol
LogP8.94
Rot. Bonds7

About N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide

N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide (PubChem CID 3393885) has the molecular formula C34H22BrClN4O2 and a molecular weight of 633.93 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide
PubChem CID3393885
Molecular FormulaC34H22BrClN4O2
Molecular Weight633.93 g/mol
Exact Mass632.06
IUPAC NameN-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide
SMILESO=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C34H22BrClN4O2/c35-24-13-17-30(28(19-24)32(41)22-9-5-2-6-10-22)38-33(42)23-11-15-26(16-12-23)37-34-39-29-18-14-25(36)20-27(29)31(40-34)21-7-3-1-4-8-21/h1-20H,(H,38,42)(H,37,39,40)
InChIKeyWLJDCBGOLURSJF-UHFFFAOYSA-N
XLogP8.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.93
LogP ≤ 58.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide
CID 140595625
[2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-5-nitrophenyl]-phenylmethanone
CID 23735046
3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide
CID 4276068
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 1116310
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
CID 1104902
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043946
N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
CID 1356278
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide (CID 3393885) is N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide is O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide?
The InChIKey is WLJDCBGOLURSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BrClN4O2/c35-24-13-17-30(28(19-24)32(41)22-9-5-2-6-10-22)38-33(42)23-11-15-26(16-12-23)37-34-39-29-18-14-25(36)20-27(29)31(40-34)21-7-3-1-4-8-21/h1-20H,(H,38,42)(H,37,39,40).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide?
N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide has a molecular weight of 633.93 g/mol, XLogP of 8.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 3393885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).