1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea

C21H20ClN3O2 — CID 60599188

IUPAC1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C21H20ClN3O2/c22-19-14-17(9-10-20(19)27-15-18-8-4-5-12-23-18)25-21(26)24-13-11-16-6-2-1-3-7-16/h1-10,12,14H,11,13,15H2,(H2,24,25,26)
InChIKeyJPMGFINMSNQQOB-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.68
Rot. Bonds7

About 1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea

1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea (PubChem CID 60599188) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
PubChem CID60599188
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C21H20ClN3O2/c22-19-14-17(9-10-20(19)27-15-18-8-4-5-12-23-18)25-21(26)24-13-11-16-6-2-1-3-7-16/h1-10,12,14H,11,13,15H2,(H2,24,25,26)
InChIKeyJPMGFINMSNQQOB-UHFFFAOYSA-N
XLogP4.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600852
2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
CID 60601007
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600735
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686
2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
CID 86857583
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120634640
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119867082
4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 60600985
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-3-methylurea
CID 12942090

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea (CID 60599188) is 1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1ccc(OCc2ccccn2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea?
The InChIKey is JPMGFINMSNQQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-19-14-17(9-10-20(19)27-15-18-8-4-5-12-23-18)25-21(26)24-13-11-16-6-2-1-3-7-16/h1-10,12,14H,11,13,15H2,(H2,24,25,26).
What are the key properties of 1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea?
1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea has a molecular weight of 381.86 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 60599188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).