3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea

C18H14Cl2N2O2 — CID 3721578

IUPAC3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O2/c19-13-6-8-16(9-7-13)22(12-17-5-2-10-24-17)18(23)21-15-4-1-3-14(20)11-15/h1-11H,12H2,(H,21,23)
InChIKeyNANUERGXVGRSDA-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.83
Rot. Bonds4

About 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea

3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea (PubChem CID 3721578) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea
PubChem CID3721578
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O2/c19-13-6-8-16(9-7-13)22(12-17-5-2-10-24-17)18(23)21-15-4-1-3-14(20)11-15/h1-11H,12H2,(H,21,23)
InChIKeyNANUERGXVGRSDA-UHFFFAOYSA-N
XLogP5.83
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39364356
2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39384213
N-(4-chlorophenyl)-2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 35182106
2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 35181974
N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide
CID 35182283
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
N-[3-[furan-2-ylmethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55870410
3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea
CID 1462403
4-chloro-N-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)benzamide
CID 35345535
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea
CID 42711213
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
CID 51085537

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea (CID 3721578) is 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea is O=C(Nc1cccc(Cl)c1)N(Cc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea?
The InChIKey is NANUERGXVGRSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c19-13-6-8-16(9-7-13)22(12-17-5-2-10-24-17)18(23)21-15-4-1-3-14(20)11-15/h1-11H,12H2,(H,21,23).
What are the key properties of 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea?
3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea has a molecular weight of 361.23 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 3721578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).