1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea

C25H27ClN4O3 — CID 60600735

IUPAC1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)Nc1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C25H27ClN4O3/c26-23-14-20(9-10-24(23)33-18-21-8-4-5-11-27-21)29-25(31)28-15-22-17-30(12-13-32-22)16-19-6-2-1-3-7-19/h1-11,14,22H,12-13,15-18H2,(H2,28,29,31)
InChIKeyZHWSLCLIPSRVSR-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.34
Rot. Bonds8

About 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea

1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea (PubChem CID 60600735) has the molecular formula C25H27ClN4O3 and a molecular weight of 466.97 g/mol. Its IUPAC name is 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
PubChem CID60600735
Molecular FormulaC25H27ClN4O3
Molecular Weight466.97 g/mol
Exact Mass466.18
IUPAC Name1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)Nc1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C25H27ClN4O3/c26-23-14-20(9-10-24(23)33-18-21-8-4-5-11-27-21)29-25(31)28-15-22-17-30(12-13-32-22)16-19-6-2-1-3-7-19/h1-11,14,22H,12-13,15-18H2,(H2,28,29,31)
InChIKeyZHWSLCLIPSRVSR-UHFFFAOYSA-N
XLogP4.34
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
CID 60601007
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119867082
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78837143
4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 60600985
1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 56519340
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119867098
1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686

Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea (CID 60600735) is 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea is O=C(NCC1CN(Cc2ccccc2)CCO1)Nc1ccc(OCc2ccccn2)c(Cl)c1.
What is the InChIKey of 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea?
The InChIKey is ZHWSLCLIPSRVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3/c26-23-14-20(9-10-24(23)33-18-21-8-4-5-11-27-21)29-25(31)28-15-22-17-30(12-13-32-22)16-19-6-2-1-3-7-19/h1-11,14,22H,12-13,15-18H2,(H2,28,29,31).
What are the key properties of 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea?
1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea has a molecular weight of 466.97 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea is sourced from PubChem (CID 60600735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).