2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide

C15H17FN4O — CID 122590890

IUPAC2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide
SMILESCc1cn(-c2ccc(C(=O)NC3CCNC3)c(F)c2)cn1
InChIInChI=1S/C15H17FN4O/c1-10-8-20(9-18-10)12-2-3-13(14(16)6-12)15(21)19-11-4-5-17-7-11/h2-3,6,8-9,11,17H,4-5,7H2,1H3,(H,19,21)
InChIKeyOEZJUCPPYBCCHN-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.41
Rot. Bonds3

About 2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide

2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 122590890) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide
PubChem CID122590890
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide
SMILESCc1cn(-c2ccc(C(=O)NC3CCNC3)c(F)c2)cn1
InChIInChI=1S/C15H17FN4O/c1-10-8-20(9-18-10)12-2-3-13(14(16)6-12)15(21)19-11-4-5-17-7-11/h2-3,6,8-9,11,17H,4-5,7H2,1H3,(H,19,21)
InChIKeyOEZJUCPPYBCCHN-UHFFFAOYSA-N
XLogP1.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[2-fluoro-4-(4-methylimidazol-1-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175090651
2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449965
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 174879133
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 82771489
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891
N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide
CID 71081149

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide (CID 122590890) is 2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide is Cc1cn(-c2ccc(C(=O)NC3CCNC3)c(F)c2)cn1.
What is the InChIKey of 2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is OEZJUCPPYBCCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10-8-20(9-18-10)12-2-3-13(14(16)6-12)15(21)19-11-4-5-17-7-11/h2-3,6,8-9,11,17H,4-5,7H2,1H3,(H,19,21).
What are the key properties of 2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide?
2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 288.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 122590890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).