N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide

C18H16Cl2N4O — CID 23634861

IUPACN-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide
SMILESO=C(NCC(Cn1cncn1)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C18H16Cl2N4O/c19-15-6-7-16(17(20)8-15)14(10-24-12-21-11-23-24)9-22-18(25)13-4-2-1-3-5-13/h1-8,11-12,14H,9-10H2,(H,22,25)
InChIKeyCLZDPKSAZHZFRN-UHFFFAOYSA-N
MW375.26 g/mol
LogP3.80
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide

N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide (PubChem CID 23634861) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide
PubChem CID23634861
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC NameN-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide
SMILESO=C(NCC(Cn1cncn1)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C18H16Cl2N4O/c19-15-6-7-16(17(20)8-15)14(10-24-12-21-11-23-24)9-22-18(25)13-4-2-1-3-5-13/h1-8,11-12,14H,9-10H2,(H,22,25)
InChIKeyCLZDPKSAZHZFRN-UHFFFAOYSA-N
XLogP3.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide (CID 23634861) is N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide is O=C(NCC(Cn1cncn1)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide?
The InChIKey is CLZDPKSAZHZFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c19-15-6-7-16(17(20)8-15)14(10-24-12-21-11-23-24)9-22-18(25)13-4-2-1-3-5-13/h1-8,11-12,14H,9-10H2,(H,22,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide?
N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide has a molecular weight of 375.26 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide is sourced from PubChem (CID 23634861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).