4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide

C24H23Cl2N3O3 — CID 40941991

IUPAC4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H23Cl2N3O3/c1-15(19-12-9-17(25)13-20(19)26)27-14-23(30)28-18-10-7-16(8-11-18)24(31)29-21-5-3-4-6-22(21)32-2/h3-13,15,27H,14H2,1-2H3,(H,28,30)(H,29,31)/t15-/m1/s1
InChIKeyMFIKCRZRPMGFFG-OAHLLOKOSA-N
MW472.37 g/mol
LogP5.54
Rot. Bonds8

About 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide

4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 40941991) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID40941991
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H23Cl2N3O3/c1-15(19-12-9-17(25)13-20(19)26)27-14-23(30)28-18-10-7-16(8-11-18)24(31)29-21-5-3-4-6-22(21)32-2/h3-13,15,27H,14H2,1-2H3,(H,28,30)(H,29,31)/t15-/m1/s1
InChIKeyMFIKCRZRPMGFFG-OAHLLOKOSA-N
XLogP5.54
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.37
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 84964111
N-(2-methoxyphenyl)-4-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8898758
N-(5-acetamido-2-methoxyphenyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 17447633
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9377633
N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307080
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 9253790
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254240
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2,4-dichlorophenyl)prop-2-enoate
CID 4126741
N-(2-acetylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254442

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide (CID 40941991) is 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is MFIKCRZRPMGFFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c1-15(19-12-9-17(25)13-20(19)26)27-14-23(30)28-18-10-7-16(8-11-18)24(31)29-21-5-3-4-6-22(21)32-2/h3-13,15,27H,14H2,1-2H3,(H,28,30)(H,29,31)/t15-/m1/s1.
What are the key properties of 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 472.37 g/mol, XLogP of 5.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 40941991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).