4-methyl-3-pyrrolidin-1-ylbenzamide

C12H16N2O — CID 68604380

IUPAC4-methyl-3-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(C(N)=O)cc1N1CCCC1
InChIInChI=1S/C12H16N2O/c1-9-4-5-10(12(13)15)8-11(9)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H2,13,15)
InChIKeyONVHSBTUYDQJDT-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.69
Rot. Bonds2

About 4-methyl-3-pyrrolidin-1-ylbenzamide

4-methyl-3-pyrrolidin-1-ylbenzamide (PubChem CID 68604380) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methyl-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name4-methyl-3-pyrrolidin-1-ylbenzamide
PubChem CID68604380
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-methyl-3-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(C(N)=O)cc1N1CCCC1
InChIInChI=1S/C12H16N2O/c1-9-4-5-10(12(13)15)8-11(9)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H2,13,15)
InChIKeyONVHSBTUYDQJDT-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-pyrrolidin-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepan-1-yl)-4-methylbenzoic acid
CID 79686827
N-(diaminomethylidene)-4-methyl-3-pyrrolidin-1-ylbenzamide
CID 18956213
4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
CID 82115885
1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
CID 82113955
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
3,5-dimethyl-4-pyrrolidin-1-ylbenzamide
CID 168513451
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
5-amino-2-methyl-4-piperidin-1-ylbenzamide
CID 146170473
1-(4-amino-3-pyrrolidin-1-ylphenyl)ethanone
CID 165012746

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of 4-methyl-3-pyrrolidin-1-ylbenzamide (CID 68604380) is 4-methyl-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 4-methyl-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 4-methyl-3-pyrrolidin-1-ylbenzamide is Cc1ccc(C(N)=O)cc1N1CCCC1.
What is the InChIKey of 4-methyl-3-pyrrolidin-1-ylbenzamide?
The InChIKey is ONVHSBTUYDQJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-4-5-10(12(13)15)8-11(9)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H2,13,15).
What are the key properties of 4-methyl-3-pyrrolidin-1-ylbenzamide?
4-methyl-3-pyrrolidin-1-ylbenzamide has a molecular weight of 204.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 68604380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).