N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide

C21H24FN3O2 — CID 18116161

IUPACN-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CCn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C21H24FN3O2/c1-3-23(15-16-8-7-9-17(22)14-16)20(26)12-13-25-19-11-6-5-10-18(19)24(4-2)21(25)27/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyFSFXQNAHWOENCF-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.40
Rot. Bonds7

About N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide

N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 18116161) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID18116161
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CCn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C21H24FN3O2/c1-3-23(15-16-8-7-9-17(22)14-16)20(26)12-13-25-19-11-6-5-10-18(19)24(4-2)21(25)27/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyFSFXQNAHWOENCF-UHFFFAOYSA-N
XLogP3.40
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18169326
N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18134876
N-ethyl-N-[(3-fluorophenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 18116113
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 31977722
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9072690
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 55587797
N-[(3-fluorophenyl)methyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18144983
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
N-[2-(3-fluorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 18100521
1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one
CID 100745931

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide (CID 18116161) is N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide is CCN(Cc1cccc(F)c1)C(=O)CCn1c(=O)n(CC)c2ccccc21.
What is the InChIKey of N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is FSFXQNAHWOENCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-3-23(15-16-8-7-9-17(22)14-16)20(26)12-13-25-19-11-6-5-10-18(19)24(4-2)21(25)27/h5-11,14H,3-4,12-13,15H2,1-2H3.
What are the key properties of N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide?
N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide has a molecular weight of 369.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 18116161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).