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

C20H21Cl2N3O3 — CID 60569614

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
SMILESCc1c(NC(=O)NCc2ccc(Cl)cc2Cl)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H21Cl2N3O3/c1-13-16(19(26)25-7-9-28-10-8-25)3-2-4-18(13)24-20(27)23-12-14-5-6-15(21)11-17(14)22/h2-6,11H,7-10,12H2,1H3,(H2,23,24,27)
InChIKeyRXIOWVDEFHGHAS-UHFFFAOYSA-N
MW422.31 g/mol
LogP4.10
Rot. Bonds4

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

1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 60569614) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
PubChem CID60569614
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
SMILESCc1c(NC(=O)NCc2ccc(Cl)cc2Cl)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H21Cl2N3O3/c1-13-16(19(26)25-7-9-28-10-8-25)3-2-4-18(13)24-20(27)23-12-14-5-6-15(21)11-17(14)22/h2-6,11H,7-10,12H2,1H3,(H2,23,24,27)
InChIKeyRXIOWVDEFHGHAS-UHFFFAOYSA-N
XLogP4.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569430
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
[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
CID 47622276
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
4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077590
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
CID 4584887
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304348
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-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea (CID 60569614) is 1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea is Cc1c(NC(=O)NCc2ccc(Cl)cc2Cl)cccc1C(=O)N1CCOCC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is RXIOWVDEFHGHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-13-16(19(26)25-7-9-28-10-8-25)3-2-4-18(13)24-20(27)23-12-14-5-6-15(21)11-17(14)22/h2-6,11H,7-10,12H2,1H3,(H2,23,24,27).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 422.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 60569614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).