2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide

C26H23Cl2FN6O2 — CID 3190272

IUPAC2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C26H23Cl2FN6O2/c1-2-23(26(37)30-15-17-3-11-21(29)12-4-17)35(22-13-9-20(28)10-14-22)24(36)16-34-32-25(31-33-34)18-5-7-19(27)8-6-18/h3-14,23H,2,15-16H2,1H3,(H,30,37)
InChIKeyZPNIWBVMLOUDOU-UHFFFAOYSA-N
MW541.41 g/mol
LogP4.91
Rot. Bonds9

About 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide

2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide (PubChem CID 3190272) has the molecular formula C26H23Cl2FN6O2 and a molecular weight of 541.41 g/mol. Its IUPAC name is 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide
PubChem CID3190272
Molecular FormulaC26H23Cl2FN6O2
Molecular Weight541.41 g/mol
Exact Mass540.12
IUPAC Name2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C26H23Cl2FN6O2/c1-2-23(26(37)30-15-17-3-11-21(29)12-4-17)35(22-13-9-20(28)10-14-22)24(36)16-34-32-25(31-33-34)18-5-7-19(27)8-6-18/h3-14,23H,2,15-16H2,1H3,(H,30,37)
InChIKeyZPNIWBVMLOUDOU-UHFFFAOYSA-N
XLogP4.91
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide?
The IUPAC name of 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide (CID 3190272) is 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide?
The canonical SMILES for 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide is CCC(C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide?
The InChIKey is ZPNIWBVMLOUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2FN6O2/c1-2-23(26(37)30-15-17-3-11-21(29)12-4-17)35(22-13-9-20(28)10-14-22)24(36)16-34-32-25(31-33-34)18-5-7-19(27)8-6-18/h3-14,23H,2,15-16H2,1H3,(H,30,37).
What are the key properties of 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide?
2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide has a molecular weight of 541.41 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 3190272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).