2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide

C20H23ClN4O2 — CID 125177981

IUPAC2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide
SMILESCN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C20H23ClN4O2/c1-24(12-14-9-10-25(13-14)16-5-3-2-4-6-16)20(27)23-15-7-8-17(19(22)26)18(21)11-15/h2-8,11,14H,9-10,12-13H2,1H3,(H2,22,26)(H,23,27)/t14-/m0/s1
InChIKeySKDOITYULMSUSG-AWEZNQCLSA-N
MW386.88 g/mol
LogP3.43
Rot. Bonds5

About 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide

2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide (PubChem CID 125177981) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide
PubChem CID125177981
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide
SMILESCN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C20H23ClN4O2/c1-24(12-14-9-10-25(13-14)16-5-3-2-4-6-16)20(27)23-15-7-8-17(19(22)26)18(21)11-15/h2-8,11,14H,9-10,12-13H2,1H3,(H2,22,26)(H,23,27)/t14-/m0/s1
InChIKeySKDOITYULMSUSG-AWEZNQCLSA-N
XLogP3.43
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide 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 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide (CID 125177981) is 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide is CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide?
The InChIKey is SKDOITYULMSUSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-24(12-14-9-10-25(13-14)16-5-3-2-4-6-16)20(27)23-15-7-8-17(19(22)26)18(21)11-15/h2-8,11,14H,9-10,12-13H2,1H3,(H2,22,26)(H,23,27)/t14-/m0/s1.
What are the key properties of 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide?
2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide has a molecular weight of 386.88 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide is sourced from PubChem (CID 125177981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).