2-amino-N'-(cyclopentanecarbonyl)benzohydrazide

C13H17N3O2 — CID 101455065

IUPAC2-amino-N'-(cyclopentanecarbonyl)benzohydrazide
SMILESNc1ccccc1C(=O)NNC(=O)C1CCCC1
InChIInChI=1S/C13H17N3O2/c14-11-8-4-3-7-10(11)13(18)16-15-12(17)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,14H2,(H,15,17)(H,16,18)
InChIKeyBWGPGQJKONQBRR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-N'-(cyclopentanecarbonyl)benzohydrazide

2-amino-N'-(cyclopentanecarbonyl)benzohydrazide (PubChem CID 101455065) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-N'-(cyclopentanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name2-amino-N'-(cyclopentanecarbonyl)benzohydrazide
PubChem CID101455065
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-N'-(cyclopentanecarbonyl)benzohydrazide
SMILESNc1ccccc1C(=O)NNC(=O)C1CCCC1
InChIInChI=1S/C13H17N3O2/c14-11-8-4-3-7-10(11)13(18)16-15-12(17)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,14H2,(H,15,17)(H,16,18)
InChIKeyBWGPGQJKONQBRR-UHFFFAOYSA-N
XLogP1.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2-aminobenzoyl)amino]carbamothioyl]cyclopentanecarboxamide
CID 136575719
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
N'-(cyclohexanecarbonyl)-2-propan-2-yloxybenzohydrazide
CID 17045681
2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 119945821
N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide
CID 26798777
(1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide
CID 795714
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
CID 119946727
2-chloro-N-[(cyclohexanecarbonylamino)carbamothioyl]benzamide
CID 3542788
(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 8870376
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(cyclopentanecarbonyl)benzohydrazide?
The IUPAC name of 2-amino-N'-(cyclopentanecarbonyl)benzohydrazide (CID 101455065) is 2-amino-N'-(cyclopentanecarbonyl)benzohydrazide.
What is the SMILES notation for 2-amino-N'-(cyclopentanecarbonyl)benzohydrazide?
The canonical SMILES for 2-amino-N'-(cyclopentanecarbonyl)benzohydrazide is Nc1ccccc1C(=O)NNC(=O)C1CCCC1.
What is the InChIKey of 2-amino-N'-(cyclopentanecarbonyl)benzohydrazide?
The InChIKey is BWGPGQJKONQBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-11-8-4-3-7-10(11)13(18)16-15-12(17)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,14H2,(H,15,17)(H,16,18).
What are the key properties of 2-amino-N'-(cyclopentanecarbonyl)benzohydrazide?
2-amino-N'-(cyclopentanecarbonyl)benzohydrazide has a molecular weight of 247.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(cyclopentanecarbonyl)benzohydrazide is sourced from PubChem (CID 101455065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).