1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea

C18H18ClN3O3 — CID 110617707

IUPAC1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
SMILESO=C(NCc1cccc(Cl)c1)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C18H18ClN3O3/c19-14-3-1-2-13(10-14)11-20-18(24)21-15-4-6-16(7-5-15)22-8-9-25-12-17(22)23/h1-7,10H,8-9,11-12H2,(H2,20,21,24)
InChIKeySMRYHWNCLGSYEV-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.02
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea

1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea (PubChem CID 110617707) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
PubChem CID110617707
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
SMILESO=C(NCc1cccc(Cl)c1)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C18H18ClN3O3/c19-14-3-1-2-13(10-14)11-20-18(24)21-15-4-6-16(7-5-15)22-8-9-25-12-17(22)23/h1-7,10H,8-9,11-12H2,(H2,20,21,24)
InChIKeySMRYHWNCLGSYEV-UHFFFAOYSA-N
XLogP3.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
3-(3-fluorophenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110611038
N-[4-(3-oxomorpholin-4-yl)phenyl]furan-2-carboxamide
CID 110363534
1-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 78786561
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 47032927
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55696103
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea (CID 110617707) is 1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea is O=C(NCc1cccc(Cl)c1)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
The InChIKey is SMRYHWNCLGSYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-14-3-1-2-13(10-14)11-20-18(24)21-15-4-6-16(7-5-15)22-8-9-25-12-17(22)23/h1-7,10H,8-9,11-12H2,(H2,20,21,24).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea has a molecular weight of 359.81 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea is sourced from PubChem (CID 110617707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).