1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea

C19H18ClN3O3 — CID 108889330

IUPAC1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18ClN3O3/c1-12-15(20)8-4-9-16(12)22-19(26)21-10-5-11-23-17(24)13-6-2-3-7-14(13)18(23)25/h2-4,6-9H,5,10-11H2,1H3,(H2,21,22,26)
InChIKeyJSFUVKFUTBBJHS-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.46
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea

1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea (PubChem CID 108889330) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
PubChem CID108889330
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18ClN3O3/c1-12-15(20)8-4-9-16(12)22-19(26)21-10-5-11-23-17(24)13-6-2-3-7-14(13)18(23)25/h2-4,6-9H,5,10-11H2,1H3,(H2,21,22,26)
InChIKeyJSFUVKFUTBBJHS-UHFFFAOYSA-N
XLogP3.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.46
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-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889363
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(4-iodo-2-methylphenyl)urea
CID 108889428
1-(2-chloro-5-nitrophenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889411
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 113201371
1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020567
1-(3-chloro-2-methylphenyl)-3-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]urea
CID 23609245
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(2-chloro-3-pyridinyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 48805192
1-(4-bromo-3-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889613
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
CID 108889356
1-(2-methylphenyl)-3-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propyl]urea
CID 108890068

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea (CID 108889330) is 1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea is Cc1c(Cl)cccc1NC(=O)NCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea?
The InChIKey is JSFUVKFUTBBJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12-15(20)8-4-9-16(12)22-19(26)21-10-5-11-23-17(24)13-6-2-3-7-14(13)18(23)25/h2-4,6-9H,5,10-11H2,1H3,(H2,21,22,26).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea?
1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea has a molecular weight of 371.82 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea is sourced from PubChem (CID 108889330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).