5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide

C23H18ClN3O3 — CID 46485499

IUPAC5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C23H18ClN3O3/c1-14-7-9-18(26-23(29)25-17-5-3-2-4-6-17)13-19(14)27-22(28)21-12-15-11-16(24)8-10-20(15)30-21/h2-13H,1H3,(H,27,28)(H2,25,26,29)
InChIKeyCWYUSNZDNUIFQA-UHFFFAOYSA-N
MW419.87 g/mol
LogP6.29
Rot. Bonds4

About 5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide

5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 46485499) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
PubChem CID46485499
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C23H18ClN3O3/c1-14-7-9-18(26-23(29)25-17-5-3-2-4-6-17)13-19(14)27-22(28)21-12-15-11-16(24)8-10-20(15)30-21/h2-13H,1H3,(H,27,28)(H2,25,26,29)
InChIKeyCWYUSNZDNUIFQA-UHFFFAOYSA-N
XLogP6.29
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26812074
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9159182
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 99818760
5-chloro-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 18876031
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide (CID 46485499) is 5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is CWYUSNZDNUIFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-14-7-9-18(26-23(29)25-17-5-3-2-4-6-17)13-19(14)27-22(28)21-12-15-11-16(24)8-10-20(15)30-21/h2-13H,1H3,(H,27,28)(H2,25,26,29).
What are the key properties of 5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 6.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46485499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).