3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea

C20H17Cl2FN2O2 — CID 1058711

IUPAC3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H17Cl2FN2O2/c1-13-2-8-17(27-13)12-25(11-14-3-6-16(23)7-4-14)20(26)24-19-9-5-15(21)10-18(19)22/h2-10H,11-12H2,1H3,(H,24,26)
InChIKeyBHZGHKBSPSJJJI-UHFFFAOYSA-N
MW407.27 g/mol
LogP6.27
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea

3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 1058711) has the molecular formula C20H17Cl2FN2O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID1058711
Molecular FormulaC20H17Cl2FN2O2
Molecular Weight407.27 g/mol
Exact Mass406.07
IUPAC Name3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H17Cl2FN2O2/c1-13-2-8-17(27-13)12-25(11-14-3-6-16(23)7-4-14)20(26)24-19-9-5-15(21)10-18(19)22/h2-10H,11-12H2,1H3,(H,24,26)
InChIKeyBHZGHKBSPSJJJI-UHFFFAOYSA-N
XLogP6.27
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.27
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4581836
3-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea
CID 1058724
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4260124
3-(2,4-dichlorophenyl)-1-[(4-pentoxyphenyl)methyl]-1-[(4-pentylphenyl)methyl]urea
CID 15137610
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 1058691
2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3430030
2-[(2,4-dimethoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5083013
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001259
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4014685
2-[(2,4-dichlorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 1031164
2-[(2,6-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4092311

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea (CID 1058711) is 3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea is Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is BHZGHKBSPSJJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN2O2/c1-13-2-8-17(27-13)12-25(11-14-3-6-16(23)7-4-14)20(26)24-19-9-5-15(21)10-18(19)22/h2-10H,11-12H2,1H3,(H,24,26).
What are the key properties of 3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea?
3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 407.27 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 1058711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).