3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide

C14H14Cl2N2O — CID 2489618

IUPAC3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2)n1C
InChIInChI=1S/C14H14Cl2N2O/c1-9-3-4-13(18(9)2)8-17-14(19)10-5-11(15)7-12(16)6-10/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyHOEXVBPHVLLGQO-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.57
Rot. Bonds3

About 3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide

3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide (PubChem CID 2489618) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
PubChem CID2489618
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2)n1C
InChIInChI=1S/C14H14Cl2N2O/c1-9-3-4-13(18(9)2)8-17-14(19)10-5-11(15)7-12(16)6-10/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyHOEXVBPHVLLGQO-UHFFFAOYSA-N
XLogP3.57
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide (CID 2489618) is 3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2)n1C.
What is the InChIKey of 3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The InChIKey is HOEXVBPHVLLGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9-3-4-13(18(9)2)8-17-14(19)10-5-11(15)7-12(16)6-10/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of 3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide has a molecular weight of 297.19 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 2489618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).