2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

C18H17ClN4O2 — CID 51121821

IUPAC2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C18H17ClN4O2/c1-13(25-16-7-4-6-15(19)9-16)18(24)22-17-8-3-2-5-14(17)10-23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24)
InChIKeyDCQDGRHFRXLNRT-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.39
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 51121821) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID51121821
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C18H17ClN4O2/c1-13(25-16-7-4-6-15(19)9-16)18(24)22-17-8-3-2-5-14(17)10-23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24)
InChIKeyDCQDGRHFRXLNRT-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-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 55908667
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 47064609
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
(2S)-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 124846633
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
CID 45154155
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide
CID 1313437
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 51121821) is 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Cn1cncn1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is DCQDGRHFRXLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-13(25-16-7-4-6-15(19)9-16)18(24)22-17-8-3-2-5-14(17)10-23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
2-(3-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-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 51121821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).