2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide

C21H16ClN3O2 — CID 17424844

IUPAC2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(C2NC(=O)c3ccccc3N2)c1)c1ccccc1Cl
InChIInChI=1S/C21H16ClN3O2/c22-17-10-3-1-8-15(17)20(26)23-14-7-5-6-13(12-14)19-24-18-11-4-2-9-16(18)21(27)25-19/h1-12,19,24H,(H,23,26)(H,25,27)
InChIKeyXRMKASBQBCEGLW-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.45
Rot. Bonds3

About 2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide

2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide (PubChem CID 17424844) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide
PubChem CID17424844
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(C2NC(=O)c3ccccc3N2)c1)c1ccccc1Cl
InChIInChI=1S/C21H16ClN3O2/c22-17-10-3-1-8-15(17)20(26)23-14-7-5-6-13(12-14)19-24-18-11-4-2-9-16(18)21(27)25-19/h1-12,19,24H,(H,23,26)(H,25,27)
InChIKeyXRMKASBQBCEGLW-UHFFFAOYSA-N
XLogP4.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-(3-chloro-4,5-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
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N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide
CID 7946519
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
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2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 21441141
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
2-chloro-N-[3-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 4572798
2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
CID 1097784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide (CID 17424844) is 2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide is O=C(Nc1cccc(C2NC(=O)c3ccccc3N2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide?
The InChIKey is XRMKASBQBCEGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-17-10-3-1-8-15(17)20(26)23-14-7-5-6-13(12-14)19-24-18-11-4-2-9-16(18)21(27)25-19/h1-12,19,24H,(H,23,26)(H,25,27).
What are the key properties of 2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide?
2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide has a molecular weight of 377.83 g/mol, XLogP of 4.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide is sourced from PubChem (CID 17424844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).