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

C25H22F4N2O4 — CID 60594400

IUPACN-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCCOc1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H22F4N2O4/c1-3-34-21-14-20(31-24(33)16-10-11-18(26)17(12-16)25(27,28)29)22(35-4-2)13-19(21)30-23(32)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,30,32)(H,31,33)
InChIKeySZUXVLAOKFBLGW-UHFFFAOYSA-N
MW490.45 g/mol
LogP6.15
Rot. Bonds8

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

N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 60594400) has the molecular formula C25H22F4N2O4 and a molecular weight of 490.45 g/mol. Its IUPAC name is N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID60594400
Molecular FormulaC25H22F4N2O4
Molecular Weight490.45 g/mol
Exact Mass490.15
IUPAC NameN-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCCOc1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H22F4N2O4/c1-3-34-21-14-20(31-24(33)16-10-11-18(26)17(12-16)25(27,28)29)22(35-4-2)13-19(21)30-23(32)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,30,32)(H,31,33)
InChIKeySZUXVLAOKFBLGW-UHFFFAOYSA-N
XLogP6.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.45
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
CID 2103386
4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride
CID 133108940
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 1172430
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide (CID 60594400) is N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide is CCOc1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is SZUXVLAOKFBLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N2O4/c1-3-34-21-14-20(31-24(33)16-10-11-18(26)17(12-16)25(27,28)29)22(35-4-2)13-19(21)30-23(32)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide?
N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 490.45 g/mol, XLogP of 6.15, 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)-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 60594400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).