3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide

C14H15ClN4O2 — CID 47077545

IUPAC3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)Cn2cc(Cl)cn2)c1
InChIInChI=1S/C14H15ClN4O2/c1-2-16-14(21)10-4-3-5-12(6-10)18-13(20)9-19-8-11(15)7-17-19/h3-8H,2,9H2,1H3,(H,16,21)(H,18,20)
InChIKeyPTIMVFAXHXBHAD-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.92
Rot. Bonds5

About 3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide

3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide (PubChem CID 47077545) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide
PubChem CID47077545
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)Cn2cc(Cl)cn2)c1
InChIInChI=1S/C14H15ClN4O2/c1-2-16-14(21)10-4-3-5-12(6-10)18-13(20)9-19-8-11(15)7-17-19/h3-8H,2,9H2,1H3,(H,16,21)(H,18,20)
InChIKeyPTIMVFAXHXBHAD-UHFFFAOYSA-N
XLogP1.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 17230707
N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19524818
3-acetamido-N-ethylbenzamide
CID 17230670
3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide
CID 8986813
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706
N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78912963
3-[[2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-ethylbenzamide
CID 9201799
N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
CID 46421897
3-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 8617691
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
CID 33366231

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide (CID 47077545) is 3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)Cn2cc(Cl)cn2)c1.
What is the InChIKey of 3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide?
The InChIKey is PTIMVFAXHXBHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-2-16-14(21)10-4-3-5-12(6-10)18-13(20)9-19-8-11(15)7-17-19/h3-8H,2,9H2,1H3,(H,16,21)(H,18,20).
What are the key properties of 3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide?
3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide has a molecular weight of 306.75 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 47077545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).