N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide

C17H18ClN3O2 — CID 78872634

IUPACN'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)C1(c2cccc(Cl)c2)CCCC1)c1ccc[nH]1
InChIInChI=1S/C17H18ClN3O2/c18-13-6-3-5-12(11-13)17(8-1-2-9-17)16(23)21-20-15(22)14-7-4-10-19-14/h3-7,10-11,19H,1-2,8-9H2,(H,20,22)(H,21,23)
InChIKeyOZNSUBOQOHUIDS-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.94
Rot. Bonds3

About N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide

N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78872634) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78872634
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)C1(c2cccc(Cl)c2)CCCC1)c1ccc[nH]1
InChIInChI=1S/C17H18ClN3O2/c18-13-6-3-5-12(11-13)17(8-1-2-9-17)16(23)21-20-15(22)14-7-4-10-19-14/h3-7,10-11,19H,1-2,8-9H2,(H,20,22)(H,21,23)
InChIKeyOZNSUBOQOHUIDS-UHFFFAOYSA-N
XLogP2.94
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide
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5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide (CID 78872634) is N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)C1(c2cccc(Cl)c2)CCCC1)c1ccc[nH]1.
What is the InChIKey of N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is OZNSUBOQOHUIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-6-3-5-12(11-13)17(8-1-2-9-17)16(23)21-20-15(22)14-7-4-10-19-14/h3-7,10-11,19H,1-2,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide?
N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 331.80 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78872634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).