1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea

C19H18ClN3O3 — CID 108889363

IUPAC1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
SMILESO=C(NCCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3/c20-16-9-4-1-6-13(16)12-22-19(26)21-10-5-11-23-17(24)14-7-2-3-8-15(14)18(23)25/h1-4,6-9H,5,10-12H2,(H2,21,22,26)
InChIKeyRTBVYEJZPRCOHF-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.83
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea

1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea (PubChem CID 108889363) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
PubChem CID108889363
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
SMILESO=C(NCCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3/c20-16-9-4-1-6-13(16)12-22-19(26)21-10-5-11-23-17(24)14-7-2-3-8-15(14)18(23)25/h1-4,6-9H,5,10-12H2,(H2,21,22,26)
InChIKeyRTBVYEJZPRCOHF-UHFFFAOYSA-N
XLogP2.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889334
1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889330
6-[3-(1,3-dioxoisoindol-2-yl)propylcarbamoylamino]hexanoic acid
CID 108889388
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
CID 108889356
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2707328
1-benzhydryl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889375
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide
CID 59778496
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
1-[(2-methylphenyl)methyl]-3-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propyl]urea
CID 108890382
1-(2-chloro-5-nitrophenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889411
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-piperazin-1-ylethyl)urea
CID 108889439
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea (CID 108889363) is 1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea is O=C(NCCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea?
The InChIKey is RTBVYEJZPRCOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-16-9-4-1-6-13(16)12-22-19(26)21-10-5-11-23-17(24)14-7-2-3-8-15(14)18(23)25/h1-4,6-9H,5,10-12H2,(H2,21,22,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea?
1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea has a molecular weight of 371.82 g/mol, XLogP of 2.83, 6 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-[3-(1,3-dioxoisoindol-2-yl)propyl]urea is sourced from PubChem (CID 108889363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).