2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide

C25H20F3N5O2 — CID 129064997

IUPAC2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)c(N)cc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C25H20F3N5O2/c1-33-10-9-21(32-33)17-11-15(7-8-19(17)25(26,27)28)24(35)31-22-13-18(23(30)34)20(29)12-16(22)14-5-3-2-4-6-14/h2-13H,29H2,1H3,(H2,30,34)(H,31,35)
InChIKeyFQDDUJOYGODGKT-UHFFFAOYSA-N
MW479.46 g/mol
LogP4.71
Rot. Bonds5

About 2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide

2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide (PubChem CID 129064997) has the molecular formula C25H20F3N5O2 and a molecular weight of 479.46 g/mol. Its IUPAC name is 2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide.

Molecular Properties

Compound Name2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide
PubChem CID129064997
Molecular FormulaC25H20F3N5O2
Molecular Weight479.46 g/mol
Exact Mass479.16
IUPAC Name2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)c(N)cc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C25H20F3N5O2/c1-33-10-9-21(32-33)17-11-15(7-8-19(17)25(26,27)28)24(35)31-22-13-18(23(30)34)20(29)12-16(22)14-5-3-2-4-6-14/h2-13H,29H2,1H3,(H2,30,34)(H,31,35)
InChIKeyFQDDUJOYGODGKT-UHFFFAOYSA-N
XLogP4.71
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide?
The IUPAC name of 2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide (CID 129064997) is 2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide.
What is the SMILES notation for 2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide?
The canonical SMILES for 2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide is Cn1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)c(N)cc3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of 2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide?
The InChIKey is FQDDUJOYGODGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2/c1-33-10-9-21(32-33)17-11-15(7-8-19(17)25(26,27)28)24(35)31-22-13-18(23(30)34)20(29)12-16(22)14-5-3-2-4-6-14/h2-13H,29H2,1H3,(H2,30,34)(H,31,35).
What are the key properties of 2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide?
2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide has a molecular weight of 479.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylbenzamide is sourced from PubChem (CID 129064997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).