N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C24H22FN3O3 — CID 38613381

IUPACN-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2cccc(COc3cccc(F)c3)c2)c2ccccc21
InChIInChI=1S/C24H22FN3O3/c1-27-21-10-2-3-11-22(21)28(24(27)30)13-12-23(29)26-19-8-4-6-17(14-19)16-31-20-9-5-7-18(25)15-20/h2-11,14-15H,12-13,16H2,1H3,(H,26,29)
InChIKeyBCVGLDDKYVCWMO-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.09
Rot. Bonds7

About N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 38613381) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID38613381
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2cccc(COc3cccc(F)c3)c2)c2ccccc21
InChIInChI=1S/C24H22FN3O3/c1-27-21-10-2-3-11-22(21)28(24(27)30)13-12-23(29)26-19-8-4-6-17(14-19)16-31-20-9-5-7-18(25)15-20/h2-11,14-15H,12-13,16H2,1H3,(H,26,29)
InChIKeyBCVGLDDKYVCWMO-UHFFFAOYSA-N
XLogP4.09
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate
CID 42316342
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 33271946
N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32639195
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
CID 18139030
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide
CID 33272400
N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55890536
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]butanamide
CID 52702153
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
N-[3-[3-[(3-fluorophenoxy)methyl]anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 38614236

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 38613381) is N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is Cn1c(=O)n(CCC(=O)Nc2cccc(COc3cccc(F)c3)c2)c2ccccc21.
What is the InChIKey of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is BCVGLDDKYVCWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-27-21-10-2-3-11-22(21)28(24(27)30)13-12-23(29)26-19-8-4-6-17(14-19)16-31-20-9-5-7-18(25)15-20/h2-11,14-15H,12-13,16H2,1H3,(H,26,29).
What are the key properties of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 419.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 38613381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).