4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide

C13H13ClN2O — CID 106385485

IUPAC4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCc1cc(Cl)ccc1C(=O)NCc1cc[nH]c1
InChIInChI=1S/C13H13ClN2O/c1-9-6-11(14)2-3-12(9)13(17)16-8-10-4-5-15-7-10/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyAERVBLFSORICCC-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.91
Rot. Bonds3

About 4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide

4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide (PubChem CID 106385485) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
PubChem CID106385485
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCc1cc(Cl)ccc1C(=O)NCc1cc[nH]c1
InChIInChI=1S/C13H13ClN2O/c1-9-6-11(14)2-3-12(9)13(17)16-8-10-4-5-15-7-10/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyAERVBLFSORICCC-UHFFFAOYSA-N
XLogP2.91
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182114
2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182013
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863411
2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385030
2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 110782736
3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385065
4-chloro-2-methyl-N-prop-2-enylbenzamide
CID 103775370
N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
CID 103777410
N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
CID 113268545
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
CID 106385210
4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
CID 99823077

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
The IUPAC name of 4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide (CID 106385485) is 4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide is Cc1cc(Cl)ccc1C(=O)NCc1cc[nH]c1.
What is the InChIKey of 4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
The InChIKey is AERVBLFSORICCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-6-11(14)2-3-12(9)13(17)16-8-10-4-5-15-7-10/h2-7,15H,8H2,1H3,(H,16,17).
What are the key properties of 4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide has a molecular weight of 248.71 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide is sourced from PubChem (CID 106385485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).