4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide

C14H20FN3O — CID 106619510

IUPAC4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
SMILESCCN(CC1CCCN1)c1ccc(C(N)=O)cc1F
InChIInChI=1S/C14H20FN3O/c1-2-18(9-11-4-3-7-17-11)13-6-5-10(14(16)19)8-12(13)15/h5-6,8,11,17H,2-4,7,9H2,1H3,(H2,16,19)
InChIKeyCDFSWQICPNDARH-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.50
Rot. Bonds5

About 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide

4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide (PubChem CID 106619510) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
PubChem CID106619510
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
SMILESCCN(CC1CCCN1)c1ccc(C(N)=O)cc1F
InChIInChI=1S/C14H20FN3O/c1-2-18(9-11-4-3-7-17-11)13-6-5-10(14(16)19)8-12(13)15/h5-6,8,11,17H,2-4,7,9H2,1H3,(H2,16,19)
InChIKeyCDFSWQICPNDARH-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621481
3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
CID 106641907
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-nitrobenzamide
CID 106619376
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106614911
3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106621377
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile
CID 106641641
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
3-fluoro-4-(piperidin-2-ylmethoxy)benzamide
CID 62349426
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
CID 106620002

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide?
The IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide (CID 106619510) is 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide.
What is the SMILES notation for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide?
The canonical SMILES for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide is CCN(CC1CCCN1)c1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide?
The InChIKey is CDFSWQICPNDARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-18(9-11-4-3-7-17-11)13-6-5-10(14(16)19)8-12(13)15/h5-6,8,11,17H,2-4,7,9H2,1H3,(H2,16,19).
What are the key properties of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide?
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide has a molecular weight of 265.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide is sourced from PubChem (CID 106619510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).