1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea

C20H22ClN3O3 — CID 60569430

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
SMILESCc1c(NC(=O)NCc2ccccc2Cl)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H22ClN3O3/c1-14-16(19(25)24-9-11-27-12-10-24)6-4-8-18(14)23-20(26)22-13-15-5-2-3-7-17(15)21/h2-8H,9-13H2,1H3,(H2,22,23,26)
InChIKeyIMZWNESDAITYGI-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.44
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea

1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 60569430) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
PubChem CID60569430
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
SMILESCc1c(NC(=O)NCc2ccccc2Cl)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H22ClN3O3/c1-14-16(19(25)24-9-11-27-12-10-24)6-4-8-18(14)23-20(26)22-13-15-5-2-3-7-17(15)21/h2-8H,9-13H2,1H3,(H2,22,23,26)
InChIKeyIMZWNESDAITYGI-UHFFFAOYSA-N
XLogP3.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569614
1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60569503
(E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 94642545
4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077590
4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 136578771
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569650
2-cyclopropyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]propanamide
CID 126786282
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
1-[(2-bromophenyl)methyl]-3-(3-chloro-2-methylphenyl)urea
CID 17379764
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304348
[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
CID 47622276
1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569684

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea (CID 60569430) is 1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea is Cc1c(NC(=O)NCc2ccccc2Cl)cccc1C(=O)N1CCOCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is IMZWNESDAITYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-14-16(19(25)24-9-11-27-12-10-24)6-4-8-18(14)23-20(26)22-13-15-5-2-3-7-17(15)21/h2-8H,9-13H2,1H3,(H2,22,23,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 387.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 60569430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).