4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide

C14H19FN2O — CID 81389087

IUPAC4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(F)c1)C1CCCC1
InChIInChI=1S/C14H19FN2O/c1-9(10-4-2-3-5-10)17-14(18)11-6-7-13(16)12(15)8-11/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyBBZAZVMREWLPRT-VIFPVBQESA-N
MW250.32 g/mol
LogP2.72
Rot. Bonds3

About 4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide

4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide (PubChem CID 81389087) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
PubChem CID81389087
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(F)c1)C1CCCC1
InChIInChI=1S/C14H19FN2O/c1-9(10-4-2-3-5-10)17-14(18)11-6-7-13(16)12(15)8-11/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyBBZAZVMREWLPRT-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

4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
CID 63188445
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
N-(1-cyclohexylethyl)-3,4,5-trifluorobenzamide
CID 63189611
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
CID 81388369
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65396118
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide?
The IUPAC name of 4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide (CID 81389087) is 4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide is C[C@H](NC(=O)c1ccc(N)c(F)c1)C1CCCC1.
What is the InChIKey of 4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide?
The InChIKey is BBZAZVMREWLPRT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(10-4-2-3-5-10)17-14(18)11-6-7-13(16)12(15)8-11/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide?
4-amino-N-[(1S)-1-cyclopentylethyl]-3-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 4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide is sourced from PubChem (CID 81389087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).