2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide

C13H16F2N2O2 — CID 106118792

IUPAC2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESNc1cc(F)c(F)cc1C(=O)NCC1CCC(O)C1
InChIInChI=1S/C13H16F2N2O2/c14-10-4-9(12(16)5-11(10)15)13(19)17-6-7-1-2-8(18)3-7/h4-5,7-8,18H,1-3,6,16H2,(H,17,19)
InChIKeyODKASNPVOUMJLT-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.44
Rot. Bonds3

About 2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide

2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide (PubChem CID 106118792) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
PubChem CID106118792
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESNc1cc(F)c(F)cc1C(=O)NCC1CCC(O)C1
InChIInChI=1S/C13H16F2N2O2/c14-10-4-9(12(16)5-11(10)15)13(19)17-6-7-1-2-8(18)3-7/h4-5,7-8,18H,1-3,6,16H2,(H,17,19)
InChIKeyODKASNPVOUMJLT-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

4,5-difluoro-2-[(3-hydroxycyclopentyl)methylcarbamoyl]benzoic acid
CID 106120281
2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 114145929
3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118728
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118737
2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004255
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5-difluorobenzamide
CID 63884569
4,5-difluoro-2-[(3-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107411339
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106119006

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide (CID 106118792) is 2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide is Nc1cc(F)c(F)cc1C(=O)NCC1CCC(O)C1.
What is the InChIKey of 2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is ODKASNPVOUMJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-10-4-9(12(16)5-11(10)15)13(19)17-6-7-1-2-8(18)3-7/h4-5,7-8,18H,1-3,6,16H2,(H,17,19).
What are the key properties of 2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
2-amino-4,5-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 2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 106118792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).