3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide

C13H17FN2O — CID 113266416

IUPAC3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide
SMILESCC(CNC(=O)c1ccc(F)c(N)c1)C1CC1
InChIInChI=1S/C13H17FN2O/c1-8(9-2-3-9)7-16-13(17)10-4-5-11(14)12(15)6-10/h4-6,8-9H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyZARXIEQUGQDQLP-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.18
Rot. Bonds4

About 3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide

3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide (PubChem CID 113266416) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide
PubChem CID113266416
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide
SMILESCC(CNC(=O)c1ccc(F)c(N)c1)C1CC1
InChIInChI=1S/C13H17FN2O/c1-8(9-2-3-9)7-16-13(17)10-4-5-11(14)12(15)6-10/h4-6,8-9H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyZARXIEQUGQDQLP-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.18
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

3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
CID 64568397
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
CID 115738037
6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide
CID 102852082
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
CID 81284754
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide (CID 113266416) is 3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide is CC(CNC(=O)c1ccc(F)c(N)c1)C1CC1.
What is the InChIKey of 3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide?
The InChIKey is ZARXIEQUGQDQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8(9-2-3-9)7-16-13(17)10-4-5-11(14)12(15)6-10/h4-6,8-9H,2-3,7,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide?
3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide is sourced from PubChem (CID 113266416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).