N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide

C25H23F3N2O4 — CID 2128081

IUPACN-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
SMILESCCOc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H23F3N2O4/c1-3-33-21-15-20(30-24(32)17-11-8-12-18(13-17)25(26,27)28)22(34-4-2)14-19(21)29-23(31)16-9-6-5-7-10-16/h5-15H,3-4H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyBYXPCJKXOANSAX-UHFFFAOYSA-N
MW472.46 g/mol
LogP6.01
Rot. Bonds8

About N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide

N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 2128081) has the molecular formula C25H23F3N2O4 and a molecular weight of 472.46 g/mol. Its IUPAC name is N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
PubChem CID2128081
Molecular FormulaC25H23F3N2O4
Molecular Weight472.46 g/mol
Exact Mass472.16
IUPAC NameN-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
SMILESCCOc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H23F3N2O4/c1-3-33-21-15-20(30-24(32)17-11-8-12-18(13-17)25(26,27)28)22(34-4-2)14-19(21)29-23(31)16-9-6-5-7-10-16/h5-15H,3-4H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyBYXPCJKXOANSAX-UHFFFAOYSA-N
XLogP6.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.46
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 60594400
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate
CID 1479519
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide (CID 2128081) is N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide is CCOc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is BYXPCJKXOANSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O4/c1-3-33-21-15-20(30-24(32)17-11-8-12-18(13-17)25(26,27)28)22(34-4-2)14-19(21)29-23(31)16-9-6-5-7-10-16/h5-15H,3-4H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide?
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 472.46 g/mol, XLogP of 6.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2128081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).