1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea

C19H17ClN2O3 — CID 108988736

IUPAC1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2O3/c20-15-5-3-14(4-6-15)13-25-17-9-7-16(8-10-17)22-19(23)21-12-18-2-1-11-24-18/h1-11H,12-13H2,(H2,21,22,23)
InChIKeyWHBOSRQEEOWQFU-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.83
Rot. Bonds6

About 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea

1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea (PubChem CID 108988736) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea
PubChem CID108988736
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2O3/c20-15-5-3-14(4-6-15)13-25-17-9-7-16(8-10-17)22-19(23)21-12-18-2-1-11-24-18/h1-11H,12-13H2,(H2,21,22,23)
InChIKeyWHBOSRQEEOWQFU-UHFFFAOYSA-N
XLogP4.83
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine
CID 2993502
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 29367445
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol
CID 170159287
3-[(4-chlorophenyl)methylsulfanyl]-2-cyano-3-(4-ethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 3459711
4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 35335808
N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 109155454
5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187489
furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
CID 9466817

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea (CID 108988736) is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is WHBOSRQEEOWQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-15-5-3-14(4-6-15)13-25-17-9-7-16(8-10-17)22-19(23)21-12-18-2-1-11-24-18/h1-11H,12-13H2,(H2,21,22,23).
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea?
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 356.81 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 108988736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).