1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea

C19H23ClN2O2 — CID 46493902

IUPAC1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NC(c2ccc(Cl)cc2)C(C)C)c1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)18(15-7-9-16(20)10-8-15)22-19(23)21-12-14-5-4-6-17(11-14)24-3/h4-11,13,18H,12H2,1-3H3,(H2,21,22,23)
InChIKeyPNXIEUMOYGMOLW-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.55
Rot. Bonds6

About 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea

1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 46493902) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID46493902
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NC(c2ccc(Cl)cc2)C(C)C)c1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)18(15-7-9-16(20)10-8-15)22-19(23)21-12-14-5-4-6-17(11-14)24-3/h4-11,13,18H,12H2,1-3H3,(H2,21,22,23)
InChIKeyPNXIEUMOYGMOLW-UHFFFAOYSA-N
XLogP4.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 3603166
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 947246
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850
1-[1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 42924542
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517836
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]propanoate
CID 7529441
methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
CID 7640872
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
(2S,3R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoate
CID 2000260
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea (CID 46493902) is 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)NC(c2ccc(Cl)cc2)C(C)C)c1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is PNXIEUMOYGMOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(2)18(15-7-9-16(20)10-8-15)22-19(23)21-12-14-5-4-6-17(11-14)24-3/h4-11,13,18H,12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 346.86 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 46493902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).