2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C24H21FN4O2 — CID 177071298

IUPAC2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCn1cnc2c(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3F)cccc21
InChIInChI=1S/C24H21FN4O2/c1-29-15-26-22-19(12-7-13-21(22)29)27-24(31)20(14-16-8-3-2-4-9-16)28-23(30)17-10-5-6-11-18(17)25/h2-13,15,20H,14H2,1H3,(H,27,31)(H,28,30)
InChIKeyIDNFANPYMPCMEX-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.69
Rot. Bonds6

About 2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 177071298) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID177071298
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCn1cnc2c(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3F)cccc21
InChIInChI=1S/C24H21FN4O2/c1-29-15-26-22-19(12-7-13-21(22)29)27-24(31)20(14-16-8-3-2-4-9-16)28-23(30)17-10-5-6-11-18(17)25/h2-13,15,20H,14H2,1H3,(H,27,31)(H,28,30)
InChIKeyIDNFANPYMPCMEX-UHFFFAOYSA-N
XLogP3.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-benzamido-N-[(2S)-1-(2-bromoanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
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N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 177071298) is 2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is Cn1cnc2c(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3F)cccc21.
What is the InChIKey of 2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is IDNFANPYMPCMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-29-15-26-22-19(12-7-13-21(22)29)27-24(31)20(14-16-8-3-2-4-9-16)28-23(30)17-10-5-6-11-18(17)25/h2-13,15,20H,14H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[(1-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 177071298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).