3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide

C19H16Cl2N4O2 — CID 78888408

IUPAC3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1-n1cccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl2N4O2/c20-15-7-6-13(12-16(15)21)18(26)22-9-10-23-19(27)14-4-1-2-5-17(14)25-11-3-8-24-25/h1-8,11-12H,9-10H2,(H,22,26)(H,23,27)
InChIKeyKYNSTQQBTJWYDV-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.34
Rot. Bonds6

About 3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide

3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 78888408) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide
PubChem CID78888408
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC Name3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1-n1cccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl2N4O2/c20-15-7-6-13(12-16(15)21)18(26)22-9-10-23-19(27)14-4-1-2-5-17(14)25-11-3-8-24-25/h1-8,11-12H,9-10H2,(H,22,26)(H,23,27)
InChIKeyKYNSTQQBTJWYDV-UHFFFAOYSA-N
XLogP3.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
CID 86823053
3,4-dichloro-N-[2-(3-chloropropanoylamino)ethyl]benzamide
CID 108570669
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide
CID 86991844
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78868278
3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
CID 78871648
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-pyrazol-1-ylbenzamide
CID 86828734
N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide
CID 166323321
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
CID 86824371
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834
benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate
CID 87002296

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide (CID 78888408) is 3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1-n1cccn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is KYNSTQQBTJWYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c20-15-7-6-13(12-16(15)21)18(26)22-9-10-23-19(27)14-4-1-2-5-17(14)25-11-3-8-24-25/h1-8,11-12H,9-10H2,(H,22,26)(H,23,27).
What are the key properties of 3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide?
3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 403.27 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 78888408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).