2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide

C26H23Cl2N5O2 — CID 15567882

IUPAC2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide
SMILESCc1nnc(CNC(=O)C(N)Cc2ccccc2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C26H23Cl2N5O2/c1-16-31-32-24(15-30-26(35)22(29)13-17-7-3-2-4-8-17)33(16)23-12-11-18(27)14-20(23)25(34)19-9-5-6-10-21(19)28/h2-12,14,22H,13,15,29H2,1H3,(H,30,35)
InChIKeyXYXUMFWVLVISNG-UHFFFAOYSA-N
MW508.41 g/mol
LogP4.30
Rot. Bonds8

About 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide

2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide (PubChem CID 15567882) has the molecular formula C26H23Cl2N5O2 and a molecular weight of 508.41 g/mol. Its IUPAC name is 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide
PubChem CID15567882
Molecular FormulaC26H23Cl2N5O2
Molecular Weight508.41 g/mol
Exact Mass507.12
IUPAC Name2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide
SMILESCc1nnc(CNC(=O)C(N)Cc2ccccc2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C26H23Cl2N5O2/c1-16-31-32-24(15-30-26(35)22(29)13-17-7-3-2-4-8-17)33(16)23-12-11-18(27)14-20(23)25(34)19-9-5-6-10-21(19)28/h2-12,14,22H,13,15,29H2,1H3,(H,30,35)
InChIKeyXYXUMFWVLVISNG-UHFFFAOYSA-N
XLogP4.30
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide 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

N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-2-(dimethylamino)acetamide
CID 21325742
[5-chloro-2-[3-(iodomethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-(2-chlorophenyl)methanone
CID 21488662
benzyl N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(sulfanylmethyl)-1,2,4-triazol-3-yl]methyl]carbamate
CID 15573093
benzyl N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(chloromethyl)-1,2,4-triazol-3-yl]methyl]carbamate
CID 15573091
N-[[4-(2-benzoyl-4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methyl]-2-(dimethylamino)acetamide
CID 21325711
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
N-[[4-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-5-methyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 19085277
2,7-diamino-N-[[3-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-methylimidazol-4-yl]methyl]heptanamide
CID 145157724
4-(2-chlorobenzoyl)-5-[3-[[(3-chlorophenyl)carbamoylamino]methyl]-5-methyl-1,2,4-triazol-4-yl]thiophene-2-carboxylic acid
CID 19085378
(2S)-2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 61164027
N-(2-amino-2-oxoethyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-3-phenylpropanamide
CID 24838460
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide (CID 15567882) is 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide is Cc1nnc(CNC(=O)C(N)Cc2ccccc2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide?
The InChIKey is XYXUMFWVLVISNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N5O2/c1-16-31-32-24(15-30-26(35)22(29)13-17-7-3-2-4-8-17)33(16)23-12-11-18(27)14-20(23)25(34)19-9-5-6-10-21(19)28/h2-12,14,22H,13,15,29H2,1H3,(H,30,35).
What are the key properties of 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide?
2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide has a molecular weight of 508.41 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 15567882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).