1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea

C19H23ClN2O2 — CID 41105338

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
SMILESCCOc1ccc([C@H](C)NC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-3-24-18-10-6-16(7-11-18)14(2)22-19(23)21-13-12-15-4-8-17(20)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyCKDLYQSFBUOTHA-AWEZNQCLSA-N
MW346.86 g/mol
LogP4.34
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea

1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea (PubChem CID 41105338) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
PubChem CID41105338
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
SMILESCCOc1ccc([C@H](C)NC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-3-24-18-10-6-16(7-11-18)14(2)22-19(23)21-13-12-15-4-8-17(20)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyCKDLYQSFBUOTHA-AWEZNQCLSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60580849
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108890683
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea
CID 108879758
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 16579741
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea
CID 3697295

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea (CID 41105338) is 1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea is CCOc1ccc([C@H](C)NC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea?
The InChIKey is CKDLYQSFBUOTHA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-24-18-10-6-16(7-11-18)14(2)22-19(23)21-13-12-15-4-8-17(20)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H2,21,22,23)/t14-/m0/s1.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea has a molecular weight of 346.86 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea is sourced from PubChem (CID 41105338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).