3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide

C13H18FN3O — CID 63623074

IUPAC3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide
SMILESNC(=O)c1ccc(NCCC2CCNC2)c(F)c1
InChIInChI=1S/C13H18FN3O/c14-11-7-10(13(15)18)1-2-12(11)17-6-4-9-3-5-16-8-9/h1-2,7,9,16-17H,3-6,8H2,(H2,15,18)
InChIKeyAJZDYFSNZJQJMU-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.34
Rot. Bonds5

About 3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide

3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide (PubChem CID 63623074) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide
PubChem CID63623074
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide
SMILESNC(=O)c1ccc(NCCC2CCNC2)c(F)c1
InChIInChI=1S/C13H18FN3O/c14-11-7-10(13(15)18)1-2-12(11)17-6-4-9-3-5-16-8-9/h1-2,7,9,16-17H,3-6,8H2,(H2,15,18)
InChIKeyAJZDYFSNZJQJMU-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623817
4-[2-(cyclopropylamino)ethylamino]-3-fluorobenzamide
CID 55101083
2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054195
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
4-(4-carbamoyl-2-fluoroanilino)butanoic acid
CID 43656925
4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide
CID 112748882
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115052335
4-[3-(ethylamino)propylamino]-3-fluorobenzamide
CID 54906629
2-chloro-5-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115210629
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide?
The IUPAC name of 3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide (CID 63623074) is 3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide.
What is the SMILES notation for 3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide?
The canonical SMILES for 3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide is NC(=O)c1ccc(NCCC2CCNC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide?
The InChIKey is AJZDYFSNZJQJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-11-7-10(13(15)18)1-2-12(11)17-6-4-9-3-5-16-8-9/h1-2,7,9,16-17H,3-6,8H2,(H2,15,18).
What are the key properties of 3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide?
3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide has a molecular weight of 251.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide is sourced from PubChem (CID 63623074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).