N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide

C15H18ClN5O2 — CID 24668766

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C15H18ClN5O2/c16-12-2-1-3-13(15(12)20-6-8-23-9-7-20)19-14(22)4-5-21-11-17-10-18-21/h1-3,10-11H,4-9H2,(H,19,22)
InChIKeyQSKXWZFQDAIFHH-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.80
Rot. Bonds5

About N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 24668766) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID24668766
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C15H18ClN5O2/c16-12-2-1-3-13(15(12)20-6-8-23-9-7-20)19-14(22)4-5-21-11-17-10-18-21/h1-3,10-11H,4-9H2,(H,19,22)
InChIKeyQSKXWZFQDAIFHH-UHFFFAOYSA-N
XLogP1.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 24668766) is N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is QSKXWZFQDAIFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c16-12-2-1-3-13(15(12)20-6-8-23-9-7-20)19-14(22)4-5-21-11-17-10-18-21/h1-3,10-11H,4-9H2,(H,19,22).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 335.80 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 24668766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).