3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide

C17H15Cl2F3N2O2 — CID 55864931

IUPAC3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1Cl
InChIInChI=1S/C17H15Cl2F3N2O2/c1-24(2)10-4-5-14(11(8-10)17(20,21)22)23-16(25)9-6-12(18)15(26-3)13(19)7-9/h4-8H,1-3H3,(H,23,25)
InChIKeyZNUBJAPLEHYJLB-UHFFFAOYSA-N
MW407.22 g/mol
LogP5.34
Rot. Bonds4

About 3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide

3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide (PubChem CID 55864931) has the molecular formula C17H15Cl2F3N2O2 and a molecular weight of 407.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
PubChem CID55864931
Molecular FormulaC17H15Cl2F3N2O2
Molecular Weight407.22 g/mol
Exact Mass406.05
IUPAC Name3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1Cl
InChIInChI=1S/C17H15Cl2F3N2O2/c1-24(2)10-4-5-14(11(8-10)17(20,21)22)23-16(25)9-6-12(18)15(26-3)13(19)7-9/h4-8H,1-3H3,(H,23,25)
InChIKeyZNUBJAPLEHYJLB-UHFFFAOYSA-N
XLogP5.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.22
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 46426381
5-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 43068414
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55642691
4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46426309
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55642775
2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 55672094
3-(benzenesulfonylmethyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]benzamide
CID 55777894
2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 43068432
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 55642801
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 43068430

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide (CID 55864931) is 3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The InChIKey is ZNUBJAPLEHYJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O2/c1-24(2)10-4-5-14(11(8-10)17(20,21)22)23-16(25)9-6-12(18)15(26-3)13(19)7-9/h4-8H,1-3H3,(H,23,25).
What are the key properties of 3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide?
3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide has a molecular weight of 407.22 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 55864931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).