4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide

C24H24F2N4O2 — CID 67536787

IUPAC4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCC(C)(C(=O)NCC(N)c1ccc(C(=O)Nc2ccncc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N4O2/c1-24(2,19-8-7-17(25)13-20(19)26)23(32)29-14-21(27)15-3-5-16(6-4-15)22(31)30-18-9-11-28-12-10-18/h3-13,21H,14,27H2,1-2H3,(H,29,32)(H,28,30,31)
InChIKeyLZUADGFDYRZZRN-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.71
Rot. Bonds7

About 4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 67536787) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide
PubChem CID67536787
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCC(C)(C(=O)NCC(N)c1ccc(C(=O)Nc2ccncc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N4O2/c1-24(2,19-8-7-17(25)13-20(19)26)23(32)29-14-21(27)15-3-5-16(6-4-15)22(31)30-18-9-11-28-12-10-18/h3-13,21H,14,27H2,1-2H3,(H,29,32)(H,28,30,31)
InChIKeyLZUADGFDYRZZRN-UHFFFAOYSA-N
XLogP3.71
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]amino]-2-(4-fluorophenyl)-2-methyl-3-oxopropane-1-sulfonic acid
CID 174566008
4-[amino-[1-[2-(2,4-difluorophenyl)-2-methylpropanoyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67538695
4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67549543
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538190
4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538548
4-[(1S)-1-amino-3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 67536089
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[[2-(2-chloro-4-fluorophenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67537116
4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536747
N-[2-amino-2-[5-(2-pyridin-4-ylacetyl)-2-adamantyl]ethyl]-2-(2,4-difluorophenyl)-2-methylpropanamide
CID 157239972

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide (CID 67536787) is 4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide is CC(C)(C(=O)NCC(N)c1ccc(C(=O)Nc2ccncc2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is LZUADGFDYRZZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-24(2,19-8-7-17(25)13-20(19)26)23(32)29-14-21(27)15-3-5-16(6-4-15)22(31)30-18-9-11-28-12-10-18/h3-13,21H,14,27H2,1-2H3,(H,29,32)(H,28,30,31).
What are the key properties of 4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 438.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67536787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).