methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate

C23H18F3NO3 — CID 91084397

IUPACmethyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H18F3NO3/c1-30-21(28)14-15-5-4-6-18(13-15)27-22(29)20-8-3-2-7-19(20)16-9-11-17(12-10-16)23(24,25)26/h2-13H,14H2,1H3,(H,27,29)
InChIKeyRGSODVURJWQWPQ-UHFFFAOYSA-N
MW413.40 g/mol
LogP5.34
Rot. Bonds5

About methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate

methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate (PubChem CID 91084397) has the molecular formula C23H18F3NO3 and a molecular weight of 413.40 g/mol. Its IUPAC name is methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate
PubChem CID91084397
Molecular FormulaC23H18F3NO3
Molecular Weight413.40 g/mol
Exact Mass413.12
IUPAC Namemethyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H18F3NO3/c1-30-21(28)14-15-5-4-6-18(13-15)27-22(29)20-8-3-2-7-19(20)16-9-11-17(12-10-16)23(24,25)26/h2-13H,14H2,1H3,(H,27,29)
InChIKeyRGSODVURJWQWPQ-UHFFFAOYSA-N
XLogP5.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9,10-Dioxo-9,10-dihydro-phenanthren-3-ylcarbamoyl)-butyric acid methyl ester
CID 10545864
7-(9,10-Dioxo-9,10-dihydro-phenanthren-2-ylcarbamoyl)-heptanoic acid methyl ester
CID 10668284
7-(9,10-Dioxo-9,10-dihydro-phenanthren-3-ylcarbamoyl)-heptanoic acid methyl ester
CID 10715582
2-[4-[(4-Phenylbenzoyl)amino]phenyl]acetic acid
CID 25767990
Methyl {4-[(4-tert-butylbenzoyl)amino]phenyl}acetate
CID 894181
2,6-Difluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
CID 9977495
2-[3-[(4-Tert-butylbenzoyl)amino]phenyl]acetic acid
CID 28759467
2-[1-Methyl-4-oxo-3-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]quinolin-7-yl]acetic acid
CID 70681815
2-[3-[[2-[(4-Phenylbenzoyl)amino]benzoyl]amino]phenyl]acetic acid
CID 101896436
2-[3-[[2-[(4-Tert-butylbenzoyl)amino]benzoyl]amino]phenyl]acetic acid
CID 118714624
2-[4-[(4-Tert-butylbenzoyl)amino]-2-methylphenyl]acetic acid
CID 145982631
Methyl 4-{[(4-methylphenyl)acetyl]amino}benzoate
CID 890236

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate (CID 91084397) is methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate is COC(=O)Cc1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate?
The InChIKey is RGSODVURJWQWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO3/c1-30-21(28)14-15-5-4-6-18(13-15)27-22(29)20-8-3-2-7-19(20)16-9-11-17(12-10-16)23(24,25)26/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate?
methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate has a molecular weight of 413.40 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate is sourced from PubChem (CID 91084397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).