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

C20H23ClN2O2 — CID 113214456

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O2/c1-25-18-5-3-2-4-15(18)10-13-22-19(24)23-14-20(11-12-20)16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3,(H2,22,23,24)
InChIKeyPTVGGXYACSLTLK-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.92
Rot. Bonds7

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

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 113214456) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID113214456
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O2/c1-25-18-5-3-2-4-15(18)10-13-22-19(24)23-14-20(11-12-20)16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3,(H2,22,23,24)
InChIKeyPTVGGXYACSLTLK-UHFFFAOYSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 113214463
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 36511989
1-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110630022
1-[2-(4-chlorophenyl)propan-2-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 113216281
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113214484
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 106261987
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 110446815
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110301101

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 113214456) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1CCNC(=O)NCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is PTVGGXYACSLTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-25-18-5-3-2-4-15(18)10-13-22-19(24)23-14-20(11-12-20)16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3,(H2,22,23,24).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 358.87 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 113214456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).