2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide

C16H23ClN2O — CID 106610027

IUPAC2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)N(CC2CCCN2)C(C)C)c1Cl
InChIInChI=1S/C16H23ClN2O/c1-11(2)19(10-13-7-5-9-18-13)16(20)14-8-4-6-12(3)15(14)17/h4,6,8,11,13,18H,5,7,9-10H2,1-3H3
InChIKeyVQSCFYPSEYUAPZ-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.25
Rot. Bonds4

About 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide

2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106610027) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106610027
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)N(CC2CCCN2)C(C)C)c1Cl
InChIInChI=1S/C16H23ClN2O/c1-11(2)19(10-13-7-5-9-18-13)16(20)14-8-4-6-12(3)15(14)17/h4,6,8,11,13,18H,5,7,9-10H2,1-3H3
InChIKeyVQSCFYPSEYUAPZ-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide 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

2-bromo-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983263
2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626455
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106609608
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106626695
4-bromo-2-hydroxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609548
2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983259
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106610027) is 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1cccc(C(=O)N(CC2CCCN2)C(C)C)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is VQSCFYPSEYUAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11(2)19(10-13-7-5-9-18-13)16(20)14-8-4-6-12(3)15(14)17/h4,6,8,11,13,18H,5,7,9-10H2,1-3H3.
What are the key properties of 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide?
2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 294.83 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106610027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).