N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide

C24H20ClN3O — CID 20787643

IUPACN-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide
SMILESCc1nc2ccccc2nc1CN(C(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O/c1-17-23(27-22-10-6-5-9-21(22)26-17)16-28(20-13-11-19(25)12-14-20)24(29)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyXAQDZCFRLHMNOK-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.37
Rot. Bonds5

About N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide

N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide (PubChem CID 20787643) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide
PubChem CID20787643
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC NameN-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide
SMILESCc1nc2ccccc2nc1CN(C(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O/c1-17-23(27-22-10-6-5-9-21(22)26-17)16-28(20-13-11-19(25)12-14-20)24(29)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyXAQDZCFRLHMNOK-UHFFFAOYSA-N
XLogP5.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-N-[(3-methylquinoxalin-2-yl)methyl]acetamide
CID 20787635
ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
CID 14856955
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-methylacetamide
CID 46357705
N-benzyl-2-(4-bromophenyl)-N-phenylacetamide
CID 18281131
2-amino-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
CID 39373717
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
N-benzyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-phenylacetamide
CID 110425470
2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 51131658

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide (CID 20787643) is N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide is Cc1nc2ccccc2nc1CN(C(=O)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide?
The InChIKey is XAQDZCFRLHMNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-17-23(27-22-10-6-5-9-21(22)26-17)16-28(20-13-11-19(25)12-14-20)24(29)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide?
N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide has a molecular weight of 401.90 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 20787643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).