2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide

C20H17F3N4O2 — CID 24609771

IUPAC2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCn1ccnc1C(NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C20H17F3N4O2/c1-27-9-8-24-19(27)18(12-2-4-13(21)5-3-12)26-17(28)11-25-20(29)15-7-6-14(22)10-16(15)23/h2-10,18H,11H2,1H3,(H,25,29)(H,26,28)
InChIKeyIMUPWMGEDJZFDQ-UHFFFAOYSA-N
MW402.38 g/mol
LogP2.47
Rot. Bonds6

About 2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 24609771) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID24609771
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCn1ccnc1C(NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C20H17F3N4O2/c1-27-9-8-24-19(27)18(12-2-4-13(21)5-3-12)26-17(28)11-25-20(29)15-7-6-14(22)10-16(15)23/h2-10,18H,11H2,1H3,(H,25,29)(H,26,28)
InChIKeyIMUPWMGEDJZFDQ-UHFFFAOYSA-N
XLogP2.47
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25369027
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
N-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 25404931
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide
CID 25388894
1-(2,4-difluorophenyl)-3-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390775
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
1-(2,4-difluorophenyl)-3-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390773
N-[2-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25358696

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 24609771) is 2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide is Cn1ccnc1C(NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccc(F)cc1.
What is the InChIKey of 2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is IMUPWMGEDJZFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-27-9-8-24-19(27)18(12-2-4-13(21)5-3-12)26-17(28)11-25-20(29)15-7-6-14(22)10-16(15)23/h2-10,18H,11H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 402.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24609771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).