5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide

C24H21ClF3N3O5 — CID 56952743

IUPAC5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide
SMILESCOc1cc(Cl)c(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ccc(OC)c(C(N)=O)c2)cc1C
InChIInChI=1S/C24H21ClF3N3O5/c1-12-8-13(36-14-5-7-20(34-2)15(9-14)22(29)32)4-6-18(12)30-23(33)31-19-10-16(24(26,27)28)17(25)11-21(19)35-3/h4-11H,1-3H3,(H2,29,32)(H2,30,31,33)
InChIKeyMZRNMFJKWTVKCF-UHFFFAOYSA-N
MW523.90 g/mol
LogP6.22
Rot. Bonds7

About 5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide

5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide (PubChem CID 56952743) has the molecular formula C24H21ClF3N3O5 and a molecular weight of 523.90 g/mol. Its IUPAC name is 5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide
PubChem CID56952743
Molecular FormulaC24H21ClF3N3O5
Molecular Weight523.90 g/mol
Exact Mass523.11
IUPAC Name5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide
SMILESCOc1cc(Cl)c(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ccc(OC)c(C(N)=O)c2)cc1C
InChIInChI=1S/C24H21ClF3N3O5/c1-12-8-13(36-14-5-7-20(34-2)15(9-14)22(29)32)4-6-18(12)30-23(33)31-19-10-16(24(26,27)28)17(25)11-21(19)35-3/h4-11H,1-3H3,(H2,29,32)(H2,30,31,33)
InChIKeyMZRNMFJKWTVKCF-UHFFFAOYSA-N
XLogP6.22
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.90
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 56952741
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]benzoic acid
CID 56836646
5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
CID 171007477
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-3-methylpyridine-2-carboxamide
CID 68810251
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 26438641
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1-methoxypyridin-1-ium-2-carboxamide
CID 162550340
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
CID 71552865
1-[4-chloro-3-(4-cyano-3-methylphenoxy)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 126674717

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide?
The IUPAC name of 5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide (CID 56952743) is 5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide.
What is the SMILES notation for 5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide?
The canonical SMILES for 5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide is COc1cc(Cl)c(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ccc(OC)c(C(N)=O)c2)cc1C.
What is the InChIKey of 5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide?
The InChIKey is MZRNMFJKWTVKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O5/c1-12-8-13(36-14-5-7-20(34-2)15(9-14)22(29)32)4-6-18(12)30-23(33)31-19-10-16(24(26,27)28)17(25)11-21(19)35-3/h4-11H,1-3H3,(H2,29,32)(H2,30,31,33).
What are the key properties of 5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide?
5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide has a molecular weight of 523.90 g/mol, XLogP of 6.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide is sourced from PubChem (CID 56952743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).