1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea

C19H20ClN3O3 — CID 110352872

IUPAC1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
SMILESCC1COCCN1C(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClN3O3/c1-13-12-26-9-8-23(13)18(24)14-4-2-6-16(10-14)21-19(25)22-17-7-3-5-15(20)11-17/h2-7,10-11,13H,8-9,12H2,1H3,(H2,21,22,25)
InChIKeySVMANQGRGWRWHS-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.84
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea

1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea (PubChem CID 110352872) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
PubChem CID110352872
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
SMILESCC1COCCN1C(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClN3O3/c1-13-12-26-9-8-23(13)18(24)14-4-2-6-16(10-14)21-19(25)22-17-7-3-5-15(20)11-17/h2-7,10-11,13H,8-9,12H2,1H3,(H2,21,22,25)
InChIKeySVMANQGRGWRWHS-UHFFFAOYSA-N
XLogP3.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352861
2-(2-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671851
2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352840
2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 110352884
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-(3-methylphenyl)acetamide
CID 110671847
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110671836
1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614452
(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone
CID 110614469
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
[3-(cyclopentylsulfamoylamino)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110614470
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110631141

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea (CID 110352872) is 1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea is CC1COCCN1C(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The InChIKey is SVMANQGRGWRWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13-12-26-9-8-23(13)18(24)14-4-2-6-16(10-14)21-19(25)22-17-7-3-5-15(20)11-17/h2-7,10-11,13H,8-9,12H2,1H3,(H2,21,22,25).
What are the key properties of 1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea?
1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea has a molecular weight of 373.84 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 110352872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).