N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide

C19H17ClN2O — CID 24545195

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H17ClN2O/c1-21(14-15-5-4-6-17(20)13-15)19(23)16-7-9-18(10-8-16)22-11-2-3-12-22/h2-13H,14H2,1H3
InChIKeyMAFCXNBNQOWYBT-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.40
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide

N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide (PubChem CID 24545195) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
PubChem CID24545195
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H17ClN2O/c1-21(14-15-5-4-6-17(20)13-15)19(23)16-7-9-18(10-8-16)22-11-2-3-12-22/h2-13H,14H2,1H3
InChIKeyMAFCXNBNQOWYBT-UHFFFAOYSA-N
XLogP4.40
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27795184
N-[(3-chlorophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691680
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
4-bromo-N-[(3-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26893018
N-[(3-chlorophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 27795250
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid
CID 104607255
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-[(3-chlorophenyl)methyl]-N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18226924

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide (CID 24545195) is N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide is CN(Cc1cccc(Cl)c1)C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide?
The InChIKey is MAFCXNBNQOWYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-21(14-15-5-4-6-17(20)13-15)19(23)16-7-9-18(10-8-16)22-11-2-3-12-22/h2-13H,14H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide?
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide has a molecular weight of 324.81 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 24545195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).