4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide

C23H17ClN4O2 — CID 70933812

IUPAC4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1
InChIInChI=1S/C23H17ClN4O2/c1-14(29)27-17-9-10-18(20(24)12-17)23(30)28-16-6-4-5-15(11-16)22-19-7-2-3-8-21(19)25-13-26-22/h2-13H,1H3,(H,27,29)(H,28,30)
InChIKeyKUFQWJTTZCBCBX-UHFFFAOYSA-N
MW416.87 g/mol
LogP5.16
Rot. Bonds4

About 4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide

4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide (PubChem CID 70933812) has the molecular formula C23H17ClN4O2 and a molecular weight of 416.87 g/mol. Its IUPAC name is 4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide
PubChem CID70933812
Molecular FormulaC23H17ClN4O2
Molecular Weight416.87 g/mol
Exact Mass416.10
IUPAC Name4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1
InChIInChI=1S/C23H17ClN4O2/c1-14(29)27-17-9-10-18(20(24)12-17)23(30)28-16-6-4-5-15(11-16)22-19-7-2-3-8-21(19)25-13-26-22/h2-13H,1H3,(H,27,29)(H,28,30)
InChIKeyKUFQWJTTZCBCBX-UHFFFAOYSA-N
XLogP5.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.87
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide
CID 70933844
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide
CID 70933830
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
CID 50914465
N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide
CID 23934303
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2-chloro-4-methoxy-N-[6-[3-(prop-2-enoylamino)phenyl]quinazolin-4-yl]benzamide
CID 152692068

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide?
The IUPAC name of 4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide (CID 70933812) is 4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide?
The canonical SMILES for 4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1.
What is the InChIKey of 4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide?
The InChIKey is KUFQWJTTZCBCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O2/c1-14(29)27-17-9-10-18(20(24)12-17)23(30)28-16-6-4-5-15(11-16)22-19-7-2-3-8-21(19)25-13-26-22/h2-13H,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide?
4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide has a molecular weight of 416.87 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide is sourced from PubChem (CID 70933812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).