3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide

C17H13F2N3O2 — CID 110352040

IUPAC3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
SMILESCn1c(CNC(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O
InChIInChI=1S/C17H13F2N3O2/c1-22-15(21-14-5-3-2-4-11(14)17(22)24)9-20-16(23)10-6-7-12(18)13(19)8-10/h2-8H,9H2,1H3,(H,20,23)
InChIKeyJWFWSTMSFVYNAK-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.14
Rot. Bonds3

About 3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide

3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide (PubChem CID 110352040) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
PubChem CID110352040
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
SMILESCn1c(CNC(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O
InChIInChI=1S/C17H13F2N3O2/c1-22-15(21-14-5-3-2-4-11(14)17(22)24)9-20-16(23)10-6-7-12(18)13(19)8-10/h2-8H,9H2,1H3,(H,20,23)
InChIKeyJWFWSTMSFVYNAK-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea
CID 110352028
N-benzyl-3,4-difluorobenzamide
CID 1294460
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
2-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one
CID 18076158
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
3-methoxy-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 110712281
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
N-[(3,4-difluorophenyl)methyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 136541810
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 134012176
2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 110712309

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide (CID 110352040) is 3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide is Cn1c(CNC(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O.
What is the InChIKey of 3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide?
The InChIKey is JWFWSTMSFVYNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-22-15(21-14-5-3-2-4-11(14)17(22)24)9-20-16(23)10-6-7-12(18)13(19)8-10/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of 3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide?
3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide has a molecular weight of 329.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 110352040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).