2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

C18H17ClN4O2 — CID 55908667

IUPAC2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C18H17ClN4O2/c1-13(25-17-9-5-3-7-15(17)19)18(24)22-16-8-4-2-6-14(16)10-23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24)
InChIKeyUTHGUZZMOXDKOY-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.39
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 55908667) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID55908667
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C18H17ClN4O2/c1-13(25-17-9-5-3-7-15(17)19)18(24)22-16-8-4-2-6-14(16)10-23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24)
InChIKeyUTHGUZZMOXDKOY-UHFFFAOYSA-N
XLogP3.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 51121821
(2S)-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 124846633
(2R)-2-(2-chlorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 39166910
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 47064609
2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119440809
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 55583461
(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 40796739

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 55908667) is 2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccccc1Cn1cncn1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is UTHGUZZMOXDKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-13(25-17-9-5-3-7-15(17)19)18(24)22-16-8-4-2-6-14(16)10-23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 356.81 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 55908667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).