3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C23H17ClFN3O2 — CID 135429004

IUPAC3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESO=C(c1cccc(Cl)c1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H17ClFN3O2/c24-17-5-3-4-16(12-17)23(30)28(13-15-8-10-18(25)11-9-15)14-21-26-20-7-2-1-6-19(20)22(29)27-21/h1-12H,13-14H2,(H,26,27,29)
InChIKeyJJKJCUOTOVBNPL-UHFFFAOYSA-N
MW421.86 g/mol
LogP4.56
Rot. Bonds5

About 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135429004) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135429004
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC Name3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESO=C(c1cccc(Cl)c1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H17ClFN3O2/c24-17-5-3-4-16(12-17)23(30)28(13-15-8-10-18(25)11-9-15)14-21-26-20-7-2-1-6-19(20)22(29)27-21/h1-12H,13-14H2,(H,26,27,29)
InChIKeyJJKJCUOTOVBNPL-UHFFFAOYSA-N
XLogP4.56
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722249
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
N-benzyl-2,5-dichloro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738069
N-benzyl-2-bromo-4-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135938102
1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135429162
N-benzyl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478220
N-[(4-chlorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135429053
N-benzyl-2-(3-fluorophenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738129
N-benzyl-4-(methylsulfanylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135910063
N-benzyl-3,4-dimethoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738075
N-benzyl-2-(3-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738162
N-benzyl-5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135850139

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135429004) is 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is O=C(c1cccc(Cl)c1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is JJKJCUOTOVBNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c24-17-5-3-4-16(12-17)23(30)28(13-15-8-10-18(25)11-9-15)14-21-26-20-7-2-1-6-19(20)22(29)27-21/h1-12H,13-14H2,(H,26,27,29).
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 421.86 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135429004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).