1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea

C18H21Cl2N3O2 — CID 40952622

IUPAC1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESO=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N3O2/c19-13-6-7-15(14(20)11-13)22-18(24)21-12-16(17-5-4-10-25-17)23-8-2-1-3-9-23/h4-7,10-11,16H,1-3,8-9,12H2,(H2,21,22,24)/t16-/m0/s1
InChIKeyORCRCXJJAPDHJY-INIZCTEOSA-N
MW382.29 g/mol
LogP4.94
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea

1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea (PubChem CID 40952622) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
PubChem CID40952622
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC Name1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESO=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N3O2/c19-13-6-7-15(14(20)11-13)22-18(24)21-12-16(17-5-4-10-25-17)23-8-2-1-3-9-23/h4-7,10-11,16H,1-3,8-9,12H2,(H2,21,22,24)/t16-/m0/s1
InChIKeyORCRCXJJAPDHJY-INIZCTEOSA-N
XLogP4.94
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea with MolForge

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Related Compounds

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 41013932
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
3-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
CID 46605718
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
CID 51944280

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea (CID 40952622) is 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea is O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The InChIKey is ORCRCXJJAPDHJY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c19-13-6-7-15(14(20)11-13)22-18(24)21-12-16(17-5-4-10-25-17)23-8-2-1-3-9-23/h4-7,10-11,16H,1-3,8-9,12H2,(H2,21,22,24)/t16-/m0/s1.
What are the key properties of 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea has a molecular weight of 382.29 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea is sourced from PubChem (CID 40952622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).