3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide

C14H20FN3O2 — CID 106621481

IUPAC3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESNC(=O)c1ccc(N(CCO)CC2CCCN2)c(F)c1
InChIInChI=1S/C14H20FN3O2/c15-12-8-10(14(16)20)3-4-13(12)18(6-7-19)9-11-2-1-5-17-11/h3-4,8,11,17,19H,1-2,5-7,9H2,(H2,16,20)
InChIKeyWHZROGJLGCMOHR-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.48
Rot. Bonds6

About 3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide

3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide (PubChem CID 106621481) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
PubChem CID106621481
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESNC(=O)c1ccc(N(CCO)CC2CCCN2)c(F)c1
InChIInChI=1S/C14H20FN3O2/c15-12-8-10(14(16)20)3-4-13(12)18(6-7-19)9-11-2-1-5-17-11/h3-4,8,11,17,19H,1-2,5-7,9H2,(H2,16,20)
InChIKeyWHZROGJLGCMOHR-UHFFFAOYSA-N
XLogP0.48
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
CID 106619510
3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106621377
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106621384
3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
CID 106641907
2-[4-chloro-2-nitro-N-(pyrrolidin-2-ylmethyl)anilino]ethanol
CID 106621289
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106613059
2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621171
3-fluoro-4-(piperidin-2-ylmethoxy)benzamide
CID 62349426
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide
CID 107174129

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide (CID 106621481) is 3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide is NC(=O)c1ccc(N(CCO)CC2CCCN2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The InChIKey is WHZROGJLGCMOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-12-8-10(14(16)20)3-4-13(12)18(6-7-19)9-11-2-1-5-17-11/h3-4,8,11,17,19H,1-2,5-7,9H2,(H2,16,20).
What are the key properties of 3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide has a molecular weight of 281.33 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 106621481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).