N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C24H24F3N3O2 — CID 59673724

IUPACN-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(OC)c2)cc1
InChIInChI=1S/C24H24F3N3O2/c1-4-30(5-2)18-11-9-17(10-12-18)29-23(31)16-8-13-19(21(15-16)32-3)22-20(24(25,26)27)7-6-14-28-22/h6-15H,4-5H2,1-3H3,(H,29,31)
InChIKeyNXOUBPJMISCCSI-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.87
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673724) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673724
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC NameN-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(OC)c2)cc1
InChIInChI=1S/C24H24F3N3O2/c1-4-30(5-2)18-11-9-17(10-12-18)29-23(31)16-8-13-19(21(15-16)32-3)22-20(24(25,26)27)7-6-14-28-22/h6-15H,4-5H2,1-3H3,(H,29,31)
InChIKeyNXOUBPJMISCCSI-UHFFFAOYSA-N
XLogP5.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673054
3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673140
N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2665776
3-methoxy-N-(3-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673404
3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673274
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide
CID 59673439
N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 11328609
2-amino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 63180905
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673724) is N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is CCN(CC)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(OC)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is NXOUBPJMISCCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-4-30(5-2)18-11-9-17(10-12-18)29-23(31)16-8-13-19(21(15-16)32-3)22-20(24(25,26)27)7-6-14-28-22/h6-15H,4-5H2,1-3H3,(H,29,31).
What are the key properties of N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 443.47 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).