5-(1-cyclopropylpropylamino)-2-fluorobenzamide

C13H17FN2O — CID 64917346

IUPAC5-(1-cyclopropylpropylamino)-2-fluorobenzamide
SMILESCCC(Nc1ccc(F)c(C(N)=O)c1)C1CC1
InChIInChI=1S/C13H17FN2O/c1-2-12(8-3-4-8)16-9-5-6-11(14)10(7-9)13(15)17/h5-8,12,16H,2-4H2,1H3,(H2,15,17)
InChIKeyVCEXQDMUJSXWSL-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.53
Rot. Bonds5

About 5-(1-cyclopropylpropylamino)-2-fluorobenzamide

5-(1-cyclopropylpropylamino)-2-fluorobenzamide (PubChem CID 64917346) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-(1-cyclopropylpropylamino)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(1-cyclopropylpropylamino)-2-fluorobenzamide
PubChem CID64917346
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name5-(1-cyclopropylpropylamino)-2-fluorobenzamide
SMILESCCC(Nc1ccc(F)c(C(N)=O)c1)C1CC1
InChIInChI=1S/C13H17FN2O/c1-2-12(8-3-4-8)16-9-5-6-11(14)10(7-9)13(15)17/h5-8,12,16H,2-4H2,1H3,(H2,15,17)
InChIKeyVCEXQDMUJSXWSL-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-carbamoyl-4-fluoroanilino)butanoic acid
CID 115352673
4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline
CID 65436466
2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide
CID 43705145
N-(1-cyclopropylpropyl)-4-fluoroaniline
CID 64918794
5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide
CID 43705157
N-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
CID 114871265
2-[4-(1-cyclopropylpropylamino)phenoxy]acetamide
CID 64918188
N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
CID 64919002
4-(1-cyclopropylpropylamino)phenol
CID 64918837
methyl 4-(1-cyclopropylpropylamino)benzoate
CID 64917542
5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
CID 65084046

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpropylamino)-2-fluorobenzamide?
The IUPAC name of 5-(1-cyclopropylpropylamino)-2-fluorobenzamide (CID 64917346) is 5-(1-cyclopropylpropylamino)-2-fluorobenzamide.
What is the SMILES notation for 5-(1-cyclopropylpropylamino)-2-fluorobenzamide?
The canonical SMILES for 5-(1-cyclopropylpropylamino)-2-fluorobenzamide is CCC(Nc1ccc(F)c(C(N)=O)c1)C1CC1.
What is the InChIKey of 5-(1-cyclopropylpropylamino)-2-fluorobenzamide?
The InChIKey is VCEXQDMUJSXWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-12(8-3-4-8)16-9-5-6-11(14)10(7-9)13(15)17/h5-8,12,16H,2-4H2,1H3,(H2,15,17).
What are the key properties of 5-(1-cyclopropylpropylamino)-2-fluorobenzamide?
5-(1-cyclopropylpropylamino)-2-fluorobenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpropylamino)-2-fluorobenzamide is sourced from PubChem (CID 64917346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).