3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea

C14H19ClN2O2 — CID 95969088

IUPAC3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
SMILESCO[C@@H](CNC(=O)N(C)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-17(12-6-7-12)14(18)16-9-13(19-2)10-4-3-5-11(15)8-10/h3-5,8,12-13H,6-7,9H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyGTDRULMLKPHYPQ-ZDUSSCGKSA-N
MW282.77 g/mol
LogP2.83
Rot. Bonds5

About 3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea

3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea (PubChem CID 95969088) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea.

Molecular Properties

Compound Name3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
PubChem CID95969088
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
SMILESCO[C@@H](CNC(=O)N(C)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-17(12-6-7-12)14(18)16-9-13(19-2)10-4-3-5-11(15)8-10/h3-5,8,12-13H,6-7,9H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyGTDRULMLKPHYPQ-ZDUSSCGKSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 96999494
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 96566001
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807217
N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
CID 134068515
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
CID 172583738
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119807219
N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 71867644
3-[(3-chlorophenyl)methyl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 75386049
N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
CID 71993870
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
CID 119807214

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea?
The IUPAC name of 3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea (CID 95969088) is 3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea.
What is the SMILES notation for 3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea?
The canonical SMILES for 3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea is CO[C@@H](CNC(=O)N(C)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea?
The InChIKey is GTDRULMLKPHYPQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(12-6-7-12)14(18)16-9-13(19-2)10-4-3-5-11(15)8-10/h3-5,8,12-13H,6-7,9H2,1-2H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea?
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea has a molecular weight of 282.77 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea is sourced from PubChem (CID 95969088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).