N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide

C26H26F3N3O3 — CID 25054309

IUPACN-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1C(F)(F)F
InChIInChI=1S/C26H26F3N3O3/c1-32(2)16-17-7-10-21(11-8-17)31-25(34)19-6-4-5-18(13-19)15-30-24(33)20-9-12-23(35-3)22(14-20)26(27,28)29/h4-14H,15-16H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyJHAMKJGGGMLIGX-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.96
Rot. Bonds8

About N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide

N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide (PubChem CID 25054309) has the molecular formula C26H26F3N3O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide
PubChem CID25054309
Molecular FormulaC26H26F3N3O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC NameN-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1C(F)(F)F
InChIInChI=1S/C26H26F3N3O3/c1-32(2)16-17-7-10-21(11-8-17)31-25(34)19-6-4-5-18(13-19)15-30-24(33)20-9-12-23(35-3)22(14-20)26(27,28)29/h4-14H,15-16H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyJHAMKJGGGMLIGX-UHFFFAOYSA-N
XLogP4.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide (CID 25054309) is N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1C(F)(F)F.
What is the InChIKey of N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide?
The InChIKey is JHAMKJGGGMLIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3/c1-32(2)16-17-7-10-21(11-8-17)31-25(34)19-6-4-5-18(13-19)15-30-24(33)20-9-12-23(35-3)22(14-20)26(27,28)29/h4-14H,15-16H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide?
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide has a molecular weight of 485.51 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25054309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).