N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide

C15H18ClN3O3 — CID 46450538

IUPACN-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O3/c16-12-7-5-11(6-8-12)15(22)19-18-13(20)9-17-14(21)10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,17,21)(H,18,20)(H,19,22)
InChIKeyCPABYKNDHROFFX-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.41
Rot. Bonds4

About N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide

N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 46450538) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID46450538
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O3/c16-12-7-5-11(6-8-12)15(22)19-18-13(20)9-17-14(21)10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,17,21)(H,18,20)(H,19,22)
InChIKeyCPABYKNDHROFFX-UHFFFAOYSA-N
XLogP1.41
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925439
4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
2-chloro-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 35159240
N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-4-phenylbenzamide
CID 4778855
(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 8662028
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24553492
4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]benzoic acid
CID 45423811
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide (CID 46450538) is N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide is O=C(CNC(=O)C1CCCC1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is CPABYKNDHROFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c16-12-7-5-11(6-8-12)15(22)19-18-13(20)9-17-14(21)10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,17,21)(H,18,20)(H,19,22).
What are the key properties of N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide?
N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 323.78 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 46450538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).