1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea

C20H18ClN3O3 — CID 73388284

IUPAC1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc(Oc3ccncc3)cc2)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-26-19-7-4-15(12-18(19)21)24-20(25)23-13-14-2-5-16(6-3-14)27-17-8-10-22-11-9-17/h2-12H,13H2,1H3,(H2,23,24,25)
InChIKeyNQAHRPFKHACVAK-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.86
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea

1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea (PubChem CID 73388284) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
PubChem CID73388284
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc(Oc3ccncc3)cc2)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-26-19-7-4-15(12-18(19)21)24-20(25)23-13-14-2-5-16(6-3-14)27-17-8-10-22-11-9-17/h2-12H,13H2,1H3,(H2,23,24,25)
InChIKeyNQAHRPFKHACVAK-UHFFFAOYSA-N
XLogP4.86
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293271
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 73388161
1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283
1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988
1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea
CID 73387943
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea (CID 73388284) is 1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea is COc1ccc(NC(=O)NCc2ccc(Oc3ccncc3)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
The InChIKey is NQAHRPFKHACVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-26-19-7-4-15(12-18(19)21)24-20(25)23-13-14-2-5-16(6-3-14)27-17-8-10-22-11-9-17/h2-12H,13H2,1H3,(H2,23,24,25).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea has a molecular weight of 383.84 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea is sourced from PubChem (CID 73388284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).