1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea

C19H22ClN3O2 — CID 17149169

IUPAC1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-14-2-5-16(20)12-18(14)22-19(24)21-17-6-3-15(4-7-17)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H2,21,22,24)
InChIKeyQETLDUIPGMLYRX-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.12
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea

1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 17149169) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID17149169
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-14-2-5-16(20)12-18(14)22-19(24)21-17-6-3-15(4-7-17)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H2,21,22,24)
InChIKeyQETLDUIPGMLYRX-UHFFFAOYSA-N
XLogP4.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497
4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119890424
2-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119890389
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 11718559
7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide
CID 119890381
3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 78876482
2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979211
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
N-(2,4-dichlorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 27825531

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea (CID 17149169) is 1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea is Cc1ccc(Cl)cc1NC(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is QETLDUIPGMLYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-14-2-5-16(20)12-18(14)22-19(24)21-17-6-3-15(4-7-17)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H2,21,22,24).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 359.86 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 17149169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).