1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid

C24H22ClFN4O5 — CID 10239183

IUPAC1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid
SMILESCOC1CC(C(=O)Nc2ccc(-n3cccc3C(=O)O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H22ClFN4O5/c1-35-17-12-21(30(13-17)24(34)27-15-6-4-14(25)5-7-15)22(31)28-19-9-8-16(11-18(19)26)29-10-2-3-20(29)23(32)33/h2-11,17,21H,12-13H2,1H3,(H,27,34)(H,28,31)(H,32,33)
InChIKeyLYDIFOZLKWKCBD-UHFFFAOYSA-N
MW500.91 g/mol
LogP4.23
Rot. Bonds6

About 1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid

1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid (PubChem CID 10239183) has the molecular formula C24H22ClFN4O5 and a molecular weight of 500.91 g/mol. Its IUPAC name is 1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid
PubChem CID10239183
Molecular FormulaC24H22ClFN4O5
Molecular Weight500.91 g/mol
Exact Mass500.13
IUPAC Name1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid
SMILESCOC1CC(C(=O)Nc2ccc(-n3cccc3C(=O)O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H22ClFN4O5/c1-35-17-12-21(30(13-17)24(34)27-15-6-4-14(25)5-7-15)22(31)28-19-9-8-16(11-18(19)26)29-10-2-3-20(29)23(32)33/h2-11,17,21H,12-13H2,1H3,(H,27,34)(H,28,31)(H,32,33)
InChIKeyLYDIFOZLKWKCBD-UHFFFAOYSA-N
XLogP4.23
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.91
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic 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-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid (CID 10239183) is 1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid is COC1CC(C(=O)Nc2ccc(-n3cccc3C(=O)O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid?
The InChIKey is LYDIFOZLKWKCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O5/c1-35-17-12-21(30(13-17)24(34)27-15-6-4-14(25)5-7-15)22(31)28-19-9-8-16(11-18(19)26)29-10-2-3-20(29)23(32)33/h2-11,17,21H,12-13H2,1H3,(H,27,34)(H,28,31)(H,32,33).
What are the key properties of 1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid?
1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid has a molecular weight of 500.91 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 10239183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).