N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide

C25H24F3N3O4 — CID 5163768

IUPACN-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3N3O4/c1-3-34-21-15-20(31-24(33)29-18-12-8-11-17(13-18)25(26,27)28)22(35-4-2)14-19(21)30-23(32)16-9-6-5-7-10-16/h5-15H,3-4H2,1-2H3,(H,30,32)(H2,29,31,33)
InChIKeyJSAOKXWTYLLXCT-UHFFFAOYSA-N
MW487.48 g/mol
LogP6.40
Rot. Bonds8

About N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide

N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide (PubChem CID 5163768) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
PubChem CID5163768
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC NameN-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3N3O4/c1-3-34-21-15-20(31-24(33)29-18-12-8-11-17(13-18)25(26,27)28)22(35-4-2)14-19(21)30-23(32)16-9-6-5-7-10-16/h5-15H,3-4H2,1-2H3,(H,30,32)(H2,29,31,33)
InChIKeyJSAOKXWTYLLXCT-UHFFFAOYSA-N
XLogP6.40
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 175308603
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289
N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 60594400
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide (CID 5163768) is N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The InChIKey is JSAOKXWTYLLXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4/c1-3-34-21-15-20(31-24(33)29-18-12-8-11-17(13-18)25(26,27)28)22(35-4-2)14-19(21)30-23(32)16-9-6-5-7-10-16/h5-15H,3-4H2,1-2H3,(H,30,32)(H2,29,31,33).
What are the key properties of N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide has a molecular weight of 487.48 g/mol, XLogP of 6.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide is sourced from PubChem (CID 5163768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).