1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea

C18H23ClN2O2 — CID 86952626

IUPAC1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea
SMILESCc1cc(CNC(=O)N(Cc2cccc(Cl)c2)C(C)C)c(C)o1
InChIInChI=1S/C18H23ClN2O2/c1-12(2)21(11-15-6-5-7-17(19)9-15)18(22)20-10-16-8-13(3)23-14(16)4/h5-9,12H,10-11H2,1-4H3,(H,20,22)
InChIKeyHBUATXMCPDFGED-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.67
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea

1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea (PubChem CID 86952626) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea
PubChem CID86952626
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea
SMILESCc1cc(CNC(=O)N(Cc2cccc(Cl)c2)C(C)C)c(C)o1
InChIInChI=1S/C18H23ClN2O2/c1-12(2)21(11-15-6-5-7-17(19)9-15)18(22)20-10-16-8-13(3)23-14(16)4/h5-9,12H,10-11H2,1-4H3,(H,20,22)
InChIKeyHBUATXMCPDFGED-UHFFFAOYSA-N
XLogP4.67
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 63048898
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 86927045
2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132655993
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
(2R)-N-butyl-2-[(3-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 100557922
N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide
CID 86927049
1-[(3-chlorophenyl)methyl]-1-propan-2-yl-3-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]urea
CID 166251115
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60512946
3-amino-4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid
CID 64896697
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 65227482

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea (CID 86952626) is 1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea is Cc1cc(CNC(=O)N(Cc2cccc(Cl)c2)C(C)C)c(C)o1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea?
The InChIKey is HBUATXMCPDFGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-12(2)21(11-15-6-5-7-17(19)9-15)18(22)20-10-16-8-13(3)23-14(16)4/h5-9,12H,10-11H2,1-4H3,(H,20,22).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea?
1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea has a molecular weight of 334.85 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea is sourced from PubChem (CID 86952626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).