[1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid

C28H24ClN3O5 — CID 67186433

IUPAC[1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid
SMILESCC(C)(C(=O)Nc1c(C(N)=O)oc2ccc(Cl)cc12)N(CC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C28H24ClN3O5/c1-28(2,26(34)31-23-20-13-15(29)11-12-22(20)37-24(23)25(30)33)32(27(35)36)14-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-13,21H,14H2,1-2H3,(H2,30,33)(H,31,34)(H,35,36)
InChIKeyFIPOGQPSONOFNP-UHFFFAOYSA-N
MW517.97 g/mol
LogP5.69
Rot. Bonds6

About [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid

[1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid (PubChem CID 67186433) has the molecular formula C28H24ClN3O5 and a molecular weight of 517.97 g/mol. Its IUPAC name is [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid.

Molecular Properties

Compound Name[1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid
PubChem CID67186433
Molecular FormulaC28H24ClN3O5
Molecular Weight517.97 g/mol
Exact Mass517.14
IUPAC Name[1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid
SMILESCC(C)(C(=O)Nc1c(C(N)=O)oc2ccc(Cl)cc12)N(CC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C28H24ClN3O5/c1-28(2,26(34)31-23-20-13-15(29)11-12-22(20)37-24(23)25(30)33)32(27(35)36)14-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-13,21H,14H2,1-2H3,(H2,30,33)(H,31,34)(H,35,36)
InChIKeyFIPOGQPSONOFNP-UHFFFAOYSA-N
XLogP5.69
TPSA125.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.97
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid?
The IUPAC name of [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid (CID 67186433) is [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid.
What is the SMILES notation for [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid?
The canonical SMILES for [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid is CC(C)(C(=O)Nc1c(C(N)=O)oc2ccc(Cl)cc12)N(CC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid?
The InChIKey is FIPOGQPSONOFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O5/c1-28(2,26(34)31-23-20-13-15(29)11-12-22(20)37-24(23)25(30)33)32(27(35)36)14-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-13,21H,14H2,1-2H3,(H2,30,33)(H,31,34)(H,35,36).
What are the key properties of [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid?
[1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid has a molecular weight of 517.97 g/mol, XLogP of 5.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid is sourced from PubChem (CID 67186433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).