1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea

C19H14Cl3N3O2 — CID 142715637

IUPAC1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl3N3O2/c20-13-5-3-12(4-6-13)11-27-17-2-1-9-23-18(17)25-19(26)24-14-7-8-15(21)16(22)10-14/h1-10H,11H2,(H2,23,24,25,26)
InChIKeySRBBWKHCVVYSMB-UHFFFAOYSA-N
MW422.70 g/mol
LogP6.26
Rot. Bonds5

About 1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea

1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 142715637) has the molecular formula C19H14Cl3N3O2 and a molecular weight of 422.70 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea
PubChem CID142715637
Molecular FormulaC19H14Cl3N3O2
Molecular Weight422.70 g/mol
Exact Mass421.02
IUPAC Name1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl3N3O2/c20-13-5-3-12(4-6-13)11-27-17-2-1-9-23-18(17)25-19(26)24-14-7-8-15(21)16(22)10-14/h1-10H,11H2,(H2,23,24,25,26)
InChIKeySRBBWKHCVVYSMB-UHFFFAOYSA-N
XLogP6.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 69070014
1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
CID 72545413
2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
CID 11602993
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398
2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
CID 171062580
1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
CID 110473501
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
CID 3623243
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-[(5E)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-(3,4-dichlorophenyl)urea
CID 126372696
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate
CID 23196073
N-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide
CID 156755436

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea (CID 142715637) is 1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is SRBBWKHCVVYSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3N3O2/c20-13-5-3-12(4-6-13)11-27-17-2-1-9-23-18(17)25-19(26)24-14-7-8-15(21)16(22)10-14/h1-10H,11H2,(H2,23,24,25,26).
What are the key properties of 1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea?
1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 422.70 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 142715637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).