4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide

C19H13BrClF3N4O3S — CID 71569618

IUPAC4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cc(Br)c(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)ccn1
InChIInChI=1S/C19H13BrClF3N4O3S/c1-25-16(29)14-7-10(4-5-26-14)31-15-8-12(20)17(32-15)28-18(30)27-9-2-3-13(21)11(6-9)19(22,23)24/h2-8H,1H3,(H,25,29)(H2,27,28,30)
InChIKeyIINHCNRBKWHVAG-UHFFFAOYSA-N
MW549.76 g/mol
LogP6.37
Rot. Bonds5

About 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide

4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 71569618) has the molecular formula C19H13BrClF3N4O3S and a molecular weight of 549.76 g/mol. Its IUPAC name is 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID71569618
Molecular FormulaC19H13BrClF3N4O3S
Molecular Weight549.76 g/mol
Exact Mass547.95
IUPAC Name4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cc(Br)c(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)ccn1
InChIInChI=1S/C19H13BrClF3N4O3S/c1-25-16(29)14-7-10(4-5-26-14)31-15-8-12(20)17(32-15)28-18(30)27-9-2-3-13(21)11(6-9)19(22,23)24/h2-8H,1H3,(H,25,29)(H2,27,28,30)
InChIKeyIINHCNRBKWHVAG-UHFFFAOYSA-N
XLogP6.37
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.76
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butanedioic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 44598971
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;ethane;ethenylphosphane
CID 143776464
4-[3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11306141
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]phenoxy]-N-methylpyridine-2-carboxamide
CID 125337923
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;pentane
CID 144702966
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;naphthalene-1,5-disulfonic acid
CID 53258874
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;hepta-1,3,5-triyne-1-thiol;trihydrate
CID 159977993
[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetyl]oxidanium
CID 142886765
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;hydrate
CID 91810343
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide
CID 25165137
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[(pyridine-2-carbonylamino)carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566684

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide (CID 71569618) is 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cc(Br)c(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)ccn1.
What is the InChIKey of 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is IINHCNRBKWHVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClF3N4O3S/c1-25-16(29)14-7-10(4-5-26-14)31-15-8-12(20)17(32-15)28-18(30)27-9-2-3-13(21)11(6-9)19(22,23)24/h2-8H,1H3,(H,25,29)(H2,27,28,30).
What are the key properties of 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide?
4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 549.76 g/mol, XLogP of 6.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71569618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).