1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea

C21H16ClN3O2 — CID 11372347

IUPAC1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccc3c2CNC3=O)cc1
InChIInChI=1S/C21H16ClN3O2/c22-14-6-10-16(11-7-14)25-21(27)24-15-8-4-13(5-9-15)17-2-1-3-18-19(17)12-23-20(18)26/h1-11H,12H2,(H,23,26)(H2,24,25,27)
InChIKeyNOCRVQROZDLKAQ-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.89
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea

1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea (PubChem CID 11372347) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
PubChem CID11372347
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccc3c2CNC3=O)cc1
InChIInChI=1S/C21H16ClN3O2/c22-14-6-10-16(11-7-14)25-21(27)24-15-8-4-13(5-9-15)17-2-1-3-18-19(17)12-23-20(18)26/h1-11H,12H2,(H,23,26)(H2,24,25,27)
InChIKeyNOCRVQROZDLKAQ-UHFFFAOYSA-N
XLogP4.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-phenylurea
CID 5329877
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 5329880
1-(2-bromophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11350703
1-(3-methylphenyl)-3-[3-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11360304
1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 69295281
1-[2-ethyl-4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-(3-methylphenyl)urea
CID 5329907
1-(3-methylphenyl)-3-[4-(6-nitro-1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11406975
1-(3-methylphenyl)-3-[4-(3-oxo-1,2-dihydroisoindol-4-yl)phenyl]urea
CID 70690322
1-[2-chloro-4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-1-(3-chlorophenyl)urea
CID 67517857
1-[4-(7-methoxy-1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-(3-methylphenyl)urea
CID 5329914
1-[1-(1,2-benzoxazol-5-yl)-3-tert-butylpyrazol-5-yl]-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 69295295
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide
CID 166424810

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea (CID 11372347) is 1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccc3c2CNC3=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The InChIKey is NOCRVQROZDLKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-14-6-10-16(11-7-14)25-21(27)24-15-8-4-13(5-9-15)17-2-1-3-18-19(17)12-23-20(18)26/h1-11H,12H2,(H,23,26)(H2,24,25,27).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea has a molecular weight of 377.83 g/mol, XLogP of 4.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea is sourced from PubChem (CID 11372347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).