1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea

C16H19ClN2O4 — CID 90605306

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCC(C)(O)Cc1ccco1
InChIInChI=1S/C16H19ClN2O4/c1-16(21,9-12-4-3-7-23-12)10-18-15(20)19-13-8-11(17)5-6-14(13)22-2/h3-8,21H,9-10H2,1-2H3,(H2,18,19,20)
InChIKeySWIHZEHUCWNCTJ-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.06
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea (PubChem CID 90605306) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
PubChem CID90605306
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCC(C)(O)Cc1ccco1
InChIInChI=1S/C16H19ClN2O4/c1-16(21,9-12-4-3-7-23-12)10-18-15(20)19-13-8-11(17)5-6-14(13)22-2/h3-8,21H,9-10H2,1-2H3,(H2,18,19,20)
InChIKeySWIHZEHUCWNCTJ-UHFFFAOYSA-N
XLogP3.06
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605304
1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
CID 95352044
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 129417963
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9167118
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084227
1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
CID 99872776
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 99872764
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 51127338

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea (CID 90605306) is 1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea is COc1ccc(Cl)cc1NC(=O)NCC(C)(O)Cc1ccco1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
The InChIKey is SWIHZEHUCWNCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-16(21,9-12-4-3-7-23-12)10-18-15(20)19-13-8-11(17)5-6-14(13)22-2/h3-8,21H,9-10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea has a molecular weight of 338.79 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea is sourced from PubChem (CID 90605306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).