1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea

C17H18Cl2N2O2 — CID 38149207

IUPAC1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11(14-8-7-13(18)9-15(14)19)21-17(22)20-10-12-5-3-4-6-16(12)23-2/h3-9,11H,10H2,1-2H3,(H2,20,21,22)/t11-/m0/s1
InChIKeySCYOCNYMYLYEAQ-NSHDSACASA-N
MW353.25 g/mol
LogP4.56
Rot. Bonds5

About 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea

1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 38149207) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID38149207
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11(14-8-7-13(18)9-15(14)19)21-17(22)20-10-12-5-3-4-6-16(12)23-2/h3-9,11H,10H2,1-2H3,(H2,20,21,22)/t11-/m0/s1
InChIKeySCYOCNYMYLYEAQ-NSHDSACASA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 7834441
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyphenoxy)propanamide
CID 9172784
1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea
CID 60569568
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
1-[(2,3-dimethoxyphenyl)methyl]-3-[1-(2-fluorophenyl)ethyl]urea
CID 47065818
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
N-[1-(2,4-dichlorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55455394

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea (CID 38149207) is 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is SCYOCNYMYLYEAQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11(14-8-7-13(18)9-15(14)19)21-17(22)20-10-12-5-3-4-6-16(12)23-2/h3-9,11H,10H2,1-2H3,(H2,20,21,22)/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 353.25 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 38149207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).