N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide

C15H12ClN5O2 — CID 75437642

IUPACN-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1
InChIInChI=1S/C15H12ClN5O2/c16-10-3-4-12(19-14(22)9-21-7-6-18-20-21)11(8-10)15(23)13-2-1-5-17-13/h1-8,17H,9H2,(H,19,22)
InChIKeyUYNXFXBZOQHGIB-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.13
Rot. Bonds5

About N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide

N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide (PubChem CID 75437642) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide
PubChem CID75437642
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC NameN-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1
InChIInChI=1S/C15H12ClN5O2/c16-10-3-4-12(19-14(22)9-21-7-6-18-20-21)11(8-10)15(23)13-2-1-5-17-13/h1-8,17H,9H2,(H,19,22)
InChIKeyUYNXFXBZOQHGIB-UHFFFAOYSA-N
XLogP2.13
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 50897778
N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
CID 75448832
N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide
CID 99839578
(2S)-2,6-diamino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]hexanamide
CID 50897796
3-fluoro-4-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291663
N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
CID 103097798
3-chloro-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 115348267
1-[[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088004
N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 67947834
N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 82885275
1-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]urea
CID 97248254
3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740211

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide (CID 75437642) is N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1.
What is the InChIKey of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide?
The InChIKey is UYNXFXBZOQHGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c16-10-3-4-12(19-14(22)9-21-7-6-18-20-21)11(8-10)15(23)13-2-1-5-17-13/h1-8,17H,9H2,(H,19,22).
What are the key properties of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide?
N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide has a molecular weight of 329.75 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 75437642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).