4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide

C23H20ClF3N4O4 — CID 10128380

IUPAC4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3OC)cc2)ccn1
InChIInChI=1S/C23H20ClF3N4O4/c1-3-28-21(32)19-10-15(8-9-29-19)35-14-6-4-13(5-7-14)30-22(33)31-18-11-16(23(25,26)27)17(24)12-20(18)34-2/h4-12H,3H2,1-2H3,(H,28,32)(H2,30,31,33)
InChIKeyKIOVCLSDHDCZEJ-UHFFFAOYSA-N
MW508.88 g/mol
LogP5.95
Rot. Bonds7

About 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide

4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide (PubChem CID 10128380) has the molecular formula C23H20ClF3N4O4 and a molecular weight of 508.88 g/mol. Its IUPAC name is 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide
PubChem CID10128380
Molecular FormulaC23H20ClF3N4O4
Molecular Weight508.88 g/mol
Exact Mass508.11
IUPAC Name4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3OC)cc2)ccn1
InChIInChI=1S/C23H20ClF3N4O4/c1-3-28-21(32)19-10-15(8-9-29-19)35-14-6-4-13(5-7-14)30-22(33)31-18-11-16(23(25,26)27)17(24)12-20(18)34-2/h4-12H,3H2,1-2H3,(H,28,32)(H2,30,31,33)
InChIKeyKIOVCLSDHDCZEJ-UHFFFAOYSA-N
XLogP5.95
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.88
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide with MolForge

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Related Compounds

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US9029401, 2278 (t-CUPM)
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5-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylpyridine-2-carboxamide
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4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide
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Sorafenib derivative, 17
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4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 71682347

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide (CID 10128380) is 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3OC)cc2)ccn1.
What is the InChIKey of 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide?
The InChIKey is KIOVCLSDHDCZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O4/c1-3-28-21(32)19-10-15(8-9-29-19)35-14-6-4-13(5-7-14)30-22(33)31-18-11-16(23(25,26)27)17(24)12-20(18)34-2/h4-12H,3H2,1-2H3,(H,28,32)(H2,30,31,33).
What are the key properties of 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide?
4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide has a molecular weight of 508.88 g/mol, XLogP of 5.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 10128380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).