5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C13H16F2N2O2 — CID 62523774

IUPAC5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1cc(C(=O)NC2(CO)CCCC2)c(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c14-9-6-10(15)11(16)5-8(9)12(19)17-13(7-18)3-1-2-4-13/h5-6,18H,1-4,7,16H2,(H,17,19)
InChIKeyMJAIUIKPRVQZMO-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.58
Rot. Bonds3

About 5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 62523774) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID62523774
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1cc(C(=O)NC2(CO)CCCC2)c(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c14-9-6-10(15)11(16)5-8(9)12(19)17-13(7-18)3-1-2-4-13/h5-6,18H,1-4,7,16H2,(H,17,19)
InChIKeyMJAIUIKPRVQZMO-UHFFFAOYSA-N
XLogP1.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62527413
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
3-amino-2,5-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 107120995
5-amino-2-bromo-4-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296663
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119565199
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527087
2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62520565

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 62523774) is 5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is Nc1cc(C(=O)NC2(CO)CCCC2)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is MJAIUIKPRVQZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-9-6-10(15)11(16)5-8(9)12(19)17-13(7-18)3-1-2-4-13/h5-6,18H,1-4,7,16H2,(H,17,19).
What are the key properties of 5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 270.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 62523774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).