N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

C20H21F2N3O2 — CID 43035296

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)NC(C)c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C20H21F2N3O2/c1-3-24-17-6-4-5-7-18(17)25(20(24)27)11-10-19(26)23-13(2)15-9-8-14(21)12-16(15)22/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,26)
InChIKeyAXQWHJPNJHBJHR-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.37
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 43035296) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID43035296
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)NC(C)c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C20H21F2N3O2/c1-3-24-17-6-4-5-7-18(17)25(20(24)27)11-10-19(26)23-13(2)15-9-8-14(21)12-16(15)22/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,26)
InChIKeyAXQWHJPNJHBJHR-UHFFFAOYSA-N
XLogP3.37
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 55713351
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 55866691
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9225152
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26371826
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588775
N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031322
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031392
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134056639

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (CID 43035296) is N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is CCn1c(=O)n(CCC(=O)NC(C)c2ccc(F)cc2F)c2ccccc21.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is AXQWHJPNJHBJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-3-24-17-6-4-5-7-18(17)25(20(24)27)11-10-19(26)23-13(2)15-9-8-14(21)12-16(15)22/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 373.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 43035296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).