4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide

C14H19FN2O2 — CID 115357758

IUPAC4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESNc1ccc(C(=O)NCC2(CO)CCCC2)cc1F
InChIInChI=1S/C14H19FN2O2/c15-11-7-10(3-4-12(11)16)13(19)17-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9,16H2,(H,17,19)
InChIKeyCJBWDTSBWJWSTO-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.69
Rot. Bonds4

About 4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide

4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide (PubChem CID 115357758) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
PubChem CID115357758
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESNc1ccc(C(=O)NCC2(CO)CCCC2)cc1F
InChIInChI=1S/C14H19FN2O2/c15-11-7-10(3-4-12(11)16)13(19)17-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9,16H2,(H,17,19)
InChIKeyCJBWDTSBWJWSTO-UHFFFAOYSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.69
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-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 114113741
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide (CID 115357758) is 4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide is Nc1ccc(C(=O)NCC2(CO)CCCC2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The InChIKey is CJBWDTSBWJWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-7-10(3-4-12(11)16)13(19)17-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9,16H2,(H,17,19).
What are the key properties of 4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 115357758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).