4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide

C17H17ClN2O3 — CID 941102

IUPAC4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide
SMILESCC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H17ClN2O3/c1-9-15(11(3)21)16(12(4)22)10(2)20(9)19-17(23)13-5-7-14(18)8-6-13/h5-8H,1-4H3,(H,19,23)
InChIKeyQHYFSANRBDKMFI-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.55
Rot. Bonds4

About 4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide

4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide (PubChem CID 941102) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide
PubChem CID941102
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide
SMILESCC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H17ClN2O3/c1-9-15(11(3)21)16(12(4)22)10(2)20(9)19-17(23)13-5-7-14(18)8-6-13/h5-8H,1-4H3,(H,19,23)
InChIKeyQHYFSANRBDKMFI-UHFFFAOYSA-N
XLogP3.55
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide (CID 941102) is 4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide is CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccc(Cl)cc2)c1C.
What is the InChIKey of 4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide?
The InChIKey is QHYFSANRBDKMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-9-15(11(3)21)16(12(4)22)10(2)20(9)19-17(23)13-5-7-14(18)8-6-13/h5-8H,1-4H3,(H,19,23).
What are the key properties of 4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide?
4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide has a molecular weight of 332.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzamide is sourced from PubChem (CID 941102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).