N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide

C14H16Cl2N4O2 — CID 111115691

IUPACN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N4O2/c15-10-3-4-11(12(16)6-10)13(21)7-18-14(22)2-1-5-20-9-17-8-19-20/h3-4,6,8-9,13,21H,1-2,5,7H2,(H,18,22)
InChIKeyMVSJGSACAYHMSY-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.21
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 111115691) has the molecular formula C14H16Cl2N4O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID111115691
Molecular FormulaC14H16Cl2N4O2
Molecular Weight343.21 g/mol
Exact Mass342.07
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N4O2/c15-10-3-4-11(12(16)6-10)13(21)7-18-14(22)2-1-5-20-9-17-8-19-20/h3-4,6,8-9,13,21H,1-2,5,7H2,(H,18,22)
InChIKeyMVSJGSACAYHMSY-UHFFFAOYSA-N
XLogP2.21
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24629761
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 111441297
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822907
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 111120044
N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
CID 96517114
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95296206
N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 23634861
N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
CID 110017546
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 111115691) is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)NCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is MVSJGSACAYHMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2/c15-10-3-4-11(12(16)6-10)13(21)7-18-14(22)2-1-5-20-9-17-8-19-20/h3-4,6,8-9,13,21H,1-2,5,7H2,(H,18,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 343.21 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 111115691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).