2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide

C14H19F2N3O — CID 78995782

IUPAC2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide
SMILESN/C(CN(Cc1cc(F)ccc1F)C1CCCC1)=N/O
InChIInChI=1S/C14H19F2N3O/c15-11-5-6-13(16)10(7-11)8-19(9-14(17)18-20)12-3-1-2-4-12/h5-7,12,20H,1-4,8-9H2,(H2,17,18)
InChIKeyHDRVAKBGOVCIBM-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.46
Rot. Bonds5

About 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide

2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide (PubChem CID 78995782) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide
PubChem CID78995782
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide
SMILESN/C(CN(Cc1cc(F)ccc1F)C1CCCC1)=N/O
InChIInChI=1S/C14H19F2N3O/c15-11-5-6-13(16)10(7-11)8-19(9-14(17)18-20)12-3-1-2-4-12/h5-7,12,20H,1-4,8-9H2,(H2,17,18)
InChIKeyHDRVAKBGOVCIBM-UHFFFAOYSA-N
XLogP2.46
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 114346073
3-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936916
N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
CID 80672624
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
CID 119932338
3-[(2-chloro-4-fluorophenyl)methyl-cyclopropylamino]-N'-hydroxypropanimidamide
CID 54997772
2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044474
2-[1-benzothiophen-3-ylmethyl(cyclopentyl)amino]-N'-hydroxyethanimidamide
CID 77044794
2-[cyclopentyl-[(4-propan-2-ylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 77044796
2-[(3-bromo-4-methoxyphenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044469
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
CID 77038165
2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
CID 77044633
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 55045230

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide (CID 78995782) is 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide is N/C(CN(Cc1cc(F)ccc1F)C1CCCC1)=N/O.
What is the InChIKey of 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide?
The InChIKey is HDRVAKBGOVCIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-11-5-6-13(16)10(7-11)8-19(9-14(17)18-20)12-3-1-2-4-12/h5-7,12,20H,1-4,8-9H2,(H2,17,18).
What are the key properties of 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide has a molecular weight of 283.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 78995782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).