N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide

C24H20ClN3O2 — CID 46324645

IUPACN-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
SMILESCc1nc2ccccc2n(Cc2ccc(C(=O)NCc3cccc(Cl)c3)cc2)c1=O
InChIInChI=1S/C24H20ClN3O2/c1-16-24(30)28(22-8-3-2-7-21(22)27-16)15-17-9-11-19(12-10-17)23(29)26-14-18-5-4-6-20(25)13-18/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyTXIPJZMYWOIEAU-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.34
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide

N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide (PubChem CID 46324645) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
PubChem CID46324645
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
SMILESCc1nc2ccccc2n(Cc2ccc(C(=O)NCc3cccc(Cl)c3)cc2)c1=O
InChIInChI=1S/C24H20ClN3O2/c1-16-24(30)28(22-8-3-2-7-21(22)27-16)15-17-9-11-19(12-10-17)23(29)26-14-18-5-4-6-20(25)13-18/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyTXIPJZMYWOIEAU-UHFFFAOYSA-N
XLogP4.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324664
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide
CID 46324669
3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008255
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 92869667
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46324693
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 53058343
N-[(4-methylsulfanylphenyl)methyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324801

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide (CID 46324645) is N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide is Cc1nc2ccccc2n(Cc2ccc(C(=O)NCc3cccc(Cl)c3)cc2)c1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
The InChIKey is TXIPJZMYWOIEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-16-24(30)28(22-8-3-2-7-21(22)27-16)15-17-9-11-19(12-10-17)23(29)26-14-18-5-4-6-20(25)13-18/h2-13H,14-15H2,1H3,(H,26,29).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide has a molecular weight of 417.90 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide is sourced from PubChem (CID 46324645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).