3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea

C17H18ClFN2O3 — CID 1058655

IUPAC3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccco1)C[C@H]1CCCO1
InChIInChI=1S/C17H18ClFN2O3/c18-15-9-12(5-6-16(15)19)20-17(22)21(10-13-3-1-7-23-13)11-14-4-2-8-24-14/h1,3,5-7,9,14H,2,4,8,10-11H2,(H,20,22)/t14-/m1/s1
InChIKeyZHIJOICVNGTXBP-CQSZACIVSA-N
MW352.79 g/mol
LogP4.29
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea

3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 1058655) has the molecular formula C17H18ClFN2O3 and a molecular weight of 352.79 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID1058655
Molecular FormulaC17H18ClFN2O3
Molecular Weight352.79 g/mol
Exact Mass352.10
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccco1)C[C@H]1CCCO1
InChIInChI=1S/C17H18ClFN2O3/c18-15-9-12(5-6-16(15)19)20-17(22)21(10-13-3-1-7-23-13)11-14-4-2-8-24-14/h1,3,5-7,9,14H,2,4,8,10-11H2,(H,20,22)/t14-/m1/s1
InChIKeyZHIJOICVNGTXBP-CQSZACIVSA-N
XLogP4.29
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
3-(3-chloro-2-fluorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577089
3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510893
1-(furan-2-ylmethyl)-3-(4-methyl-3-nitrophenyl)-1-(oxolan-2-ylmethyl)urea
CID 60577323
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 60577582
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510909
2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4059297
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198
3-(2,5-dibromophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577447
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3682047

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea (CID 1058655) is 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea is O=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccco1)C[C@H]1CCCO1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is ZHIJOICVNGTXBP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClFN2O3/c18-15-9-12(5-6-16(15)19)20-17(22)21(10-13-3-1-7-23-13)11-14-4-2-8-24-14/h1,3,5-7,9,14H,2,4,8,10-11H2,(H,20,22)/t14-/m1/s1.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 352.79 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 1058655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).