N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide

C20H21FN4O2 — CID 17030281

IUPACN-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H21FN4O2/c1-2-19(26)22-11-10-18-24-16-8-3-4-9-17(16)25(18)13-20(27)23-15-7-5-6-14(21)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyQFJIARBQFVVNEP-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.88
Rot. Bonds7

About N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide

N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 17030281) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
PubChem CID17030281
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H21FN4O2/c1-2-19(26)22-11-10-18-24-16-8-3-4-9-17(16)25(18)13-20(27)23-15-7-5-6-14(21)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyQFJIARBQFVVNEP-UHFFFAOYSA-N
XLogP2.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030299
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029315
N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 17031356
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
N-[3-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
CID 17031031
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029460
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030383
N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030397
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53097796
4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030913
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030679

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide (CID 17030281) is N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is QFJIARBQFVVNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-2-19(26)22-11-10-18-24-16-8-3-4-9-17(16)25(18)13-20(27)23-15-7-5-6-14(21)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide?
N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 368.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 17030281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).