1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea

C18H21ClN2O3 — CID 90600196

IUPAC1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC(C)(OC)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O3/c1-18(24-3,13-7-6-8-14(19)11-13)12-20-17(22)21-15-9-4-5-10-16(15)23-2/h4-11H,12H2,1-3H3,(H2,20,21,22)
InChIKeyRWMWDXHIECRFRR-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.03
Rot. Bonds6

About 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea

1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea (PubChem CID 90600196) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
PubChem CID90600196
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC(C)(OC)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O3/c1-18(24-3,13-7-6-8-14(19)11-13)12-20-17(22)21-15-9-4-5-10-16(15)23-2/h4-11H,12H2,1-3H3,(H2,20,21,22)
InChIKeyRWMWDXHIECRFRR-UHFFFAOYSA-N
XLogP4.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(4-ethoxyphenyl)urea
CID 90600200
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 90600151
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
CID 94813267
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600155
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea (CID 90600196) is 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCC(C)(OC)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea?
The InChIKey is RWMWDXHIECRFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-18(24-3,13-7-6-8-14(19)11-13)12-20-17(22)21-15-9-4-5-10-16(15)23-2/h4-11H,12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea?
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea has a molecular weight of 348.83 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 90600196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).