N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide

C25H23Cl2N3O3 — CID 24838460

IUPACN-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide
SMILESCN(c1ccc(Cl)cc1C(=O)c1ccccc1Cl)C(Cc1ccccc1)C(=O)NCC(N)=O
InChIInChI=1S/C25H23Cl2N3O3/c1-30(22(25(33)29-15-23(28)31)13-16-7-3-2-4-8-16)21-12-11-17(26)14-19(21)24(32)18-9-5-6-10-20(18)27/h2-12,14,22H,13,15H2,1H3,(H2,28,31)(H,29,33)
InChIKeyPDPMPJATJQPGSF-UHFFFAOYSA-N
MW484.38 g/mol
LogP3.87
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide

N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide (PubChem CID 24838460) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide
PubChem CID24838460
Molecular FormulaC25H23Cl2N3O3
Molecular Weight484.38 g/mol
Exact Mass483.11
IUPAC NameN-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide
SMILESCN(c1ccc(Cl)cc1C(=O)c1ccccc1Cl)C(Cc1ccccc1)C(=O)NCC(N)=O
InChIInChI=1S/C25H23Cl2N3O3/c1-30(22(25(33)29-15-23(28)31)13-16-7-3-2-4-8-16)21-12-11-17(26)14-19(21)24(32)18-9-5-6-10-20(18)27/h2-12,14,22H,13,15H2,1H3,(H2,28,31)(H,29,33)
InChIKeyPDPMPJATJQPGSF-UHFFFAOYSA-N
XLogP3.87
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[4-chloro-2-(2-chlorobenzoyl)phenyl]-methyl-(2-phenylethyl)azanium;oxalic acid
CID 21153639
2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide
CID 15567882
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-3-phenylpropanamide
CID 3042184
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 133214509
butanoic acid;N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]benzamide
CID 21153641
(2S)-2-amino-N-[(2S)-1-(2-benzoyl-4-chloro-N-methylanilino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride
CID 70563004
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-(2-methylbut-3-yn-2-ylamino)acetamide
CID 3058805
[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl] carbamimidothioate
CID 3080496
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride
CID 3058807
2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132619869
2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171523
tert-butyl 2-[benzyl-(2,4-dichlorobenzoyl)amino]-3-phenylpropanoate
CID 20779317

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide (CID 24838460) is N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide is CN(c1ccc(Cl)cc1C(=O)c1ccccc1Cl)C(Cc1ccccc1)C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide?
The InChIKey is PDPMPJATJQPGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c1-30(22(25(33)29-15-23(28)31)13-16-7-3-2-4-8-16)21-12-11-17(26)14-19(21)24(32)18-9-5-6-10-20(18)27/h2-12,14,22H,13,15H2,1H3,(H2,28,31)(H,29,33).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide?
N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide has a molecular weight of 484.38 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide is sourced from PubChem (CID 24838460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).