N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

C17H11ClF3N3O2 — CID 2223927

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H11ClF3N3O2/c18-12-6-5-10(17(19,20)21)7-14(12)23-15(25)8-24-9-22-13-4-2-1-3-11(13)16(24)26/h1-7,9H,8H2,(H,23,25)
InChIKeyICOXPFRXQRCGIA-UHFFFAOYSA-N
MW381.74 g/mol
LogP3.71
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2223927) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2223927
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H11ClF3N3O2/c18-12-6-5-10(17(19,20)21)7-14(12)23-15(25)8-24-9-22-13-4-2-1-3-11(13)16(24)26/h1-7,9H,8H2,(H,23,25)
InChIKeyICOXPFRXQRCGIA-UHFFFAOYSA-N
XLogP3.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
3-(4-chlorobenzyl)quinazolin-4(3H)-one
CID 677888
N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 992765
3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluoroanilino)methyl]quinazolin-4-one
CID 9908809
3-{[3-(2-Chloro-phenyl)-6-fluoro-4-oxo-3,4-dihydro-quinazolin-2-ylmethyl]-amino}-benzonitrile
CID 10216225
3-(2-Chlorophenyl)-6-fluoro-2-[[3-(pyrrolidin-1-ylmethyl)anilino]methyl]quinazolin-4-one
CID 10434512
3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one
CID 10501013
N-(3-(4-chlorobenzyl)-4-oxo-3,4-dihydroquinazolin-6-yl)-2-hydroxyacetamide
CID 25159235
N-(3-(4-chloro-3-(trifluoromethyl)benzyl)-4-oxo-3,4-dihydroquinazolin-6-yl)-2-hydroxyacetamide
CID 25159237
8-Chloro-3-(4-fluorophenyl)quinazolin-4-one
CID 137652745
2-{3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-oxopropyl}quinazolin-4(3H)-one
CID 135494901
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1132057

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 2223927) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ICOXPFRXQRCGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c18-12-6-5-10(17(19,20)21)7-14(12)23-15(25)8-24-9-22-13-4-2-1-3-11(13)16(24)26/h1-7,9H,8H2,(H,23,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 381.74 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2223927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).