4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C21H17ClF2N4O3 — CID 143453790

IUPAC4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)ccc1Cl
InChIInChI=1S/C21H17ClF2N4O3/c1-21(23,24)16-10-13(4-7-17(16)22)28-20(30)27-12-2-5-14(6-3-12)31-15-8-9-26-18(11-15)19(25)29/h2-11H,1H3,(H2,25,29)(H2,27,28,30)
InChIKeyNFCLOYICTIPWHH-UHFFFAOYSA-N
MW446.84 g/mol
LogP5.38
Rot. Bonds6

About 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 143453790) has the molecular formula C21H17ClF2N4O3 and a molecular weight of 446.84 g/mol. Its IUPAC name is 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID143453790
Molecular FormulaC21H17ClF2N4O3
Molecular Weight446.84 g/mol
Exact Mass446.10
IUPAC Name4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)ccc1Cl
InChIInChI=1S/C21H17ClF2N4O3/c1-21(23,24)16-10-13(4-7-17(16)22)28-20(30)27-12-2-5-14(6-3-12)31-15-8-9-26-18(11-15)19(25)29/h2-11H,1H3,(H2,25,29)(H2,27,28,30)
InChIKeyNFCLOYICTIPWHH-UHFFFAOYSA-N
XLogP5.38
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.84
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide
CID 25165137
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-oxopyridine-2-carboxamide
CID 151804255
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(3,3,3-trideuteriopropanoyl)-4-pyridinyl]oxy]phenyl]urea
CID 89402801
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;trifluoromethanesulfonic acid
CID 71511492
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;ethane;ethenylphosphane
CID 143776464
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[(pyridine-2-carbonylamino)carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566684
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]-5-methylcyclohexa-1,3-dien-1-yl]oxypyridine-2-carboxamide
CID 163460788
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 141350522
1-[4-[[2-[[(4-chlorobenzoyl)amino]carbamoyl]-4-pyridinyl]oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 86566353
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(hydroxyamino)-2-oxoethyl]pyridine-2-carboxamide
CID 145477748
2-[4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]-2-oxoacetamide
CID 141458307

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 143453790) is 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is CC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)ccc1Cl.
What is the InChIKey of 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is NFCLOYICTIPWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N4O3/c1-21(23,24)16-10-13(4-7-17(16)22)28-20(30)27-12-2-5-14(6-3-12)31-15-8-9-26-18(11-15)19(25)29/h2-11H,1H3,(H2,25,29)(H2,27,28,30).
What are the key properties of 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 446.84 g/mol, XLogP of 5.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 143453790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).