N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide

C22H20FN3O3 — CID 39976491

IUPACN-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H20FN3O3/c1-26-14-4-7-19(26)22(29)25-13-12-24-21(28)18-6-3-2-5-17(18)20(27)15-8-10-16(23)11-9-15/h2-11,14H,12-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyMNPQSOMVQJPIMD-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.56
Rot. Bonds7

About N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide

N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 39976491) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID39976491
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H20FN3O3/c1-26-14-4-7-19(26)22(29)25-13-12-24-21(28)18-6-3-2-5-17(18)20(27)15-8-10-16(23)11-9-15/h2-11,14H,12-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyMNPQSOMVQJPIMD-UHFFFAOYSA-N
XLogP2.56
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390823
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 90516055
N',2-bis(4-fluorobenzoyl)benzohydrazide
CID 55554421
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
methyl (2S)-2-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoate
CID 99837242
2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701236
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 91888259
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
CID 141062303
1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride
CID 67246906
2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide
CID 96525444

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide (CID 39976491) is N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MNPQSOMVQJPIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-26-14-4-7-19(26)22(29)25-13-12-24-21(28)18-6-3-2-5-17(18)20(27)15-8-10-16(23)11-9-15/h2-11,14H,12-13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide?
N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 39976491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).