N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide

C15H20FN3O2 — CID 119704149

IUPACN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2CCNC2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-10-2-3-11(8-13(10)16)14(20)18-6-7-19-15(21)12-4-5-17-9-12/h2-3,8,12,17H,4-7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyUTIBZUOAILQLNQ-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.59
Rot. Bonds5

About N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 119704149) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
PubChem CID119704149
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2CCNC2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-10-2-3-11(8-13(10)16)14(20)18-6-7-19-15(21)12-4-5-17-9-12/h2-3,8,12,17H,4-7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyUTIBZUOAILQLNQ-UHFFFAOYSA-N
XLogP0.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
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-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide
CID 119704143
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955798
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
N-[2-[[N'-[2-(cyclopropanecarbonylamino)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111927802
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299602
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide (CID 119704149) is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)C2CCNC2)cc1F.
What is the InChIKey of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is UTIBZUOAILQLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10-2-3-11(8-13(10)16)14(20)18-6-7-19-15(21)12-4-5-17-9-12/h2-3,8,12,17H,4-7,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide?
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119704149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).