3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea

C18H21ClN2O2 — CID 47015060

IUPAC3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCN(C)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-14-6-3-4-9-17(14)23-11-10-21(2)18(22)20-13-15-7-5-8-16(19)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyDSXBVAPZIMCJDJ-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.87
Rot. Bonds6

About 3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea

3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea (PubChem CID 47015060) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
PubChem CID47015060
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCN(C)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-14-6-3-4-9-17(14)23-11-10-21(2)18(22)20-13-15-7-5-8-16(19)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyDSXBVAPZIMCJDJ-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 55316485
3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
CID 87007539
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
3-chloro-N-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 31670964
1-butyl-3-[(3-chlorophenyl)methyl]-1-methylurea
CID 110301221
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18120198
4-(acetamidomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120176
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 27123609
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51158751

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea (CID 47015060) is 3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea is Cc1ccccc1OCCN(C)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea?
The InChIKey is DSXBVAPZIMCJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-14-6-3-4-9-17(14)23-11-10-21(2)18(22)20-13-15-7-5-8-16(19)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea?
3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea has a molecular weight of 332.83 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea is sourced from PubChem (CID 47015060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).