2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide

C14H19FN2O — CID 81388369

IUPAC2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
SMILESC[C@H](NC(=O)c1cc(F)ccc1N)C1CCCC1
InChIInChI=1S/C14H19FN2O/c1-9(10-4-2-3-5-10)17-14(18)12-8-11(15)6-7-13(12)16/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyPDVGCKKOKXKWHB-VIFPVBQESA-N
MW250.32 g/mol
LogP2.72
Rot. Bonds3

About 2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide

2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide (PubChem CID 81388369) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
PubChem CID81388369
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
SMILESC[C@H](NC(=O)c1cc(F)ccc1N)C1CCCC1
InChIInChI=1S/C14H19FN2O/c1-9(10-4-2-3-5-10)17-14(18)12-8-11(15)6-7-13(12)16/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyPDVGCKKOKXKWHB-VIFPVBQESA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide
CID 103543073
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2,5-difluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523182
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 55144400
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide?
The IUPAC name of 2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide (CID 81388369) is 2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide is C[C@H](NC(=O)c1cc(F)ccc1N)C1CCCC1.
What is the InChIKey of 2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide?
The InChIKey is PDVGCKKOKXKWHB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(10-4-2-3-5-10)17-14(18)12-8-11(15)6-7-13(12)16/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide?
2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide is sourced from PubChem (CID 81388369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).