1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea

C19H16ClFN4O2 — CID 143782858

IUPAC1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea
SMILESCNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(F)c3)cc2)ccn1
InChIInChI=1S/C19H16ClFN4O2/c1-22-18-11-15(8-9-23-18)27-14-5-2-12(3-6-14)24-19(26)25-13-4-7-16(20)17(21)10-13/h2-11H,1H3,(H,22,23)(H2,24,25,26)
InChIKeyTWHQGNVKMQMEEQ-UHFFFAOYSA-N
MW386.81 g/mol
LogP5.35
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea

1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea (PubChem CID 143782858) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea
PubChem CID143782858
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea
SMILESCNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(F)c3)cc2)ccn1
InChIInChI=1S/C19H16ClFN4O2/c1-22-18-11-15(8-9-23-18)27-14-5-2-12(3-6-14)24-19(26)25-13-4-7-16(20)17(21)10-13/h2-11H,1H3,(H,22,23)(H2,24,25,26)
InChIKeyTWHQGNVKMQMEEQ-UHFFFAOYSA-N
XLogP5.35
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.81
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 138528462
methyl 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 71248936
1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine
CID 161167639
N-[4-[4-[[3-(1,1-difluoroethyl)-4-fluorophenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118234021
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-oxopyridine-2-carboxamide
CID 151804255
4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143453790
methyl 6-[[4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]amino]-2,2,4,4-tetramethyl-6-oxohexanoate
CID 143645596
1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
CID 58659455
1-[4-[(2-butan-2-yl-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 167119734
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
butanedioic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 44598971

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea (CID 143782858) is 1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea is CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(F)c3)cc2)ccn1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea?
The InChIKey is TWHQGNVKMQMEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-22-18-11-15(8-9-23-18)27-14-5-2-12(3-6-14)24-19(26)25-13-4-7-16(20)17(21)10-13/h2-11H,1H3,(H,22,23)(H2,24,25,26).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea?
1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea has a molecular weight of 386.81 g/mol, XLogP of 5.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea is sourced from PubChem (CID 143782858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).