1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea

C18H21ClN2O4 — CID 129373912

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC[C@@H](OC)c1ccccc1OC
InChIInChI=1S/C18H21ClN2O4/c1-23-15-7-5-4-6-13(15)17(25-3)11-20-18(22)21-14-10-12(19)8-9-16(14)24-2/h4-10,17H,11H2,1-3H3,(H2,20,21,22)/t17-/m1/s1
InChIKeyKNMBYZJIFJJQDZ-QGZVFWFLSA-N
MW364.83 g/mol
LogP3.87
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea (PubChem CID 129373912) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
PubChem CID129373912
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC[C@@H](OC)c1ccccc1OC
InChIInChI=1S/C18H21ClN2O4/c1-23-15-7-5-4-6-13(15)17(25-3)11-20-18(22)21-14-10-12(19)8-9-16(14)24-2/h4-10,17H,11H2,1-3H3,(H2,20,21,22)/t17-/m1/s1
InChIKeyKNMBYZJIFJJQDZ-QGZVFWFLSA-N
XLogP3.87
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 129357962
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623652
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 73168483
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810446
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 7590323
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide
CID 121145738
1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598283
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea (CID 129373912) is 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea is COc1ccc(Cl)cc1NC(=O)NC[C@@H](OC)c1ccccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is KNMBYZJIFJJQDZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-23-15-7-5-4-6-13(15)17(25-3)11-20-18(22)21-14-10-12(19)8-9-16(14)24-2/h4-10,17H,11H2,1-3H3,(H2,20,21,22)/t17-/m1/s1.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 364.83 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 129373912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).