3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide

C19H28FN3O2 — CID 47078971

IUPAC3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCCCN2CCCC2)cc1F
InChIInChI=1S/C19H28FN3O2/c1-15-7-8-16(14-17(15)20)19(25)22-10-9-21-18(24)6-2-3-11-23-12-4-5-13-23/h7-8,14H,2-6,9-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyUJWKDMPCCWLQDA-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.25
Rot. Bonds9

About 3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide

3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide (PubChem CID 47078971) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide
PubChem CID47078971
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCCCN2CCCC2)cc1F
InChIInChI=1S/C19H28FN3O2/c1-15-7-8-16(14-17(15)20)19(25)22-10-9-21-18(24)6-2-3-11-23-12-4-5-13-23/h7-8,14H,2-6,9-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyUJWKDMPCCWLQDA-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
3-fluoro-4-methyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 33321522
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
N-[2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 30863662
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
N-[2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 55548401

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide (CID 47078971) is 3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)CCCCN2CCCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide?
The InChIKey is UJWKDMPCCWLQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-15-7-8-16(14-17(15)20)19(25)22-10-9-21-18(24)6-2-3-11-23-12-4-5-13-23/h7-8,14H,2-6,9-13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide?
3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide has a molecular weight of 349.45 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide is sourced from PubChem (CID 47078971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).