N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide

C23H21F3N4O3 — CID 55743685

IUPACN-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ncccc1CNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O3/c1-2-33-21-16(9-6-12-27-21)14-28-22(32)30-19-11-10-17(13-18(19)23(24,25)26)29-20(31)15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,29,31)(H2,28,30,32)
InChIKeyOMCQHUAEJULHLB-UHFFFAOYSA-N
MW458.44 g/mol
LogP5.07
Rot. Bonds7

About N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide

N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 55743685) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID55743685
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC NameN-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ncccc1CNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O3/c1-2-33-21-16(9-6-12-27-21)14-28-22(32)30-19-11-10-17(13-18(19)23(24,25)26)29-20(31)15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,29,31)(H2,28,30,32)
InChIKeyOMCQHUAEJULHLB-UHFFFAOYSA-N
XLogP5.07
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.44
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
N-[4-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 97335706
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517
1-(2-chloro-4-methoxyphenyl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 86862849
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 60587785
N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651098
1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91816064
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
N-[4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 119037443

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide (CID 55743685) is N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide is CCOc1ncccc1CNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OMCQHUAEJULHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-2-33-21-16(9-6-12-27-21)14-28-22(32)30-19-11-10-17(13-18(19)23(24,25)26)29-20(31)15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,29,31)(H2,28,30,32).
What are the key properties of N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide?
N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 458.44 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55743685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).