2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide

C17H20ClN3O2 — CID 75421332

IUPAC2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1)n1cccc1
InChIInChI=1S/C17H20ClN3O2/c1-12(21-8-4-5-9-21)10-16(22)19-13-6-7-14(15(18)11-13)17(23)20(2)3/h4-9,11-12H,10H2,1-3H3,(H,19,22)
InChIKeyBHUZUQMICKLERI-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.43
Rot. Bonds5

About 2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide

2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide (PubChem CID 75421332) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide
PubChem CID75421332
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1)n1cccc1
InChIInChI=1S/C17H20ClN3O2/c1-12(21-8-4-5-9-21)10-16(22)19-13-6-7-14(15(18)11-13)17(23)20(2)3/h4-9,11-12H,10H2,1-3H3,(H,19,22)
InChIKeyBHUZUQMICKLERI-UHFFFAOYSA-N
XLogP3.43
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)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-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide (CID 75421332) is 2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide is CC(CC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1)n1cccc1.
What is the InChIKey of 2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide?
The InChIKey is BHUZUQMICKLERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12(21-8-4-5-9-21)10-16(22)19-13-6-7-14(15(18)11-13)17(23)20(2)3/h4-9,11-12H,10H2,1-3H3,(H,19,22).
What are the key properties of 2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide?
2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide has a molecular weight of 333.82 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-4-(3-pyrrol-1-ylbutanoylamino)benzamide is sourced from PubChem (CID 75421332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).