N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

C16H14ClN5O — CID 53168756

IUPACN-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN5O/c17-12-5-3-4-11(8-12)10-19-15(23)9-14-20-16(22-21-14)13-6-1-2-7-18-13/h1-8H,9-10H2,(H,19,23)(H,20,21,22)
InChIKeyWXYCQFLDRGBJFX-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.38
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 53168756) has the molecular formula C16H14ClN5O and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID53168756
Molecular FormulaC16H14ClN5O
Molecular Weight327.77 g/mol
Exact Mass327.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN5O/c17-12-5-3-4-11(8-12)10-19-15(23)9-14-20-16(22-21-14)13-6-1-2-7-18-13/h1-8H,9-10H2,(H,19,23)(H,20,21,22)
InChIKeyWXYCQFLDRGBJFX-UHFFFAOYSA-N
XLogP2.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39850688
N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168769
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide
CID 110714398
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 47299986
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 167798076
N-[(3-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091822
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide
CID 9402206
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 53168756) is N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is WXYCQFLDRGBJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-12-5-3-4-11(8-12)10-19-15(23)9-14-20-16(22-21-14)13-6-1-2-7-18-13/h1-8H,9-10H2,(H,19,23)(H,20,21,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 327.77 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 53168756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).