3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide

C13H16F2N2O2 — CID 106118728

IUPAC3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESNc1cc(F)cc(C(=O)NCC2CCC(O)C2)c1F
InChIInChI=1S/C13H16F2N2O2/c14-8-4-10(12(15)11(16)5-8)13(19)17-6-7-1-2-9(18)3-7/h4-5,7,9,18H,1-3,6,16H2,(H,17,19)
InChIKeyPTLKDLXJSBEDRC-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.44
Rot. Bonds3

About 3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide

3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide (PubChem CID 106118728) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
PubChem CID106118728
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESNc1cc(F)cc(C(=O)NCC2CCC(O)C2)c1F
InChIInChI=1S/C13H16F2N2O2/c14-8-4-10(12(15)11(16)5-8)13(19)17-6-7-1-2-9(18)3-7/h4-5,7,9,18H,1-3,6,16H2,(H,17,19)
InChIKeyPTLKDLXJSBEDRC-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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

2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 114145929
2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118792
3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide
CID 107120671
3-amino-2,5-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 107121147
4,5-difluoro-2-[(3-hydroxycyclopentyl)methylcarbamoyl]benzoic acid
CID 106120281
3-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,5-difluorobenzamide
CID 107121092
2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004255
3-amino-2,5-difluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 107121122
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118737
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide (CID 106118728) is 3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide is Nc1cc(F)cc(C(=O)NCC2CCC(O)C2)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is PTLKDLXJSBEDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-8-4-10(12(15)11(16)5-8)13(19)17-6-7-1-2-9(18)3-7/h4-5,7,9,18H,1-3,6,16H2,(H,17,19).
What are the key properties of 3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 270.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 106118728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).