N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide

C14H16Cl2N4O — CID 95296206

IUPACN-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](CNC(=O)CCn1cncn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N4O/c1-10(14-11(15)3-2-4-12(14)16)7-18-13(21)5-6-20-9-17-8-19-20/h2-4,8-10H,5-7H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyWKAFZGMPHYASCX-SNVBAGLBSA-N
MW327.22 g/mol
LogP2.89
Rot. Bonds6

About N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 95296206) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID95296206
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC NameN-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](CNC(=O)CCn1cncn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N4O/c1-10(14-11(15)3-2-4-12(14)16)7-18-13(21)5-6-20-9-17-8-19-20/h2-4,8-10H,5-7H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyWKAFZGMPHYASCX-SNVBAGLBSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide 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-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63120307
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66108992
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 111120044
N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103094459
N-[1-(2,4-dichlorophenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24629761
2-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]pentanoic acid
CID 65218713
N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125168245
N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride
CID 119768749

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 95296206) is N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide is C[C@H](CNC(=O)CCn1cncn1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WKAFZGMPHYASCX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-10(14-11(15)3-2-4-12(14)16)7-18-13(21)5-6-20-9-17-8-19-20/h2-4,8-10H,5-7H2,1H3,(H,18,21)/t10-/m1/s1.
What are the key properties of N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 327.22 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 95296206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).