2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide

C16H24ClN3O — CID 106620604

IUPAC2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCC(C)CN(CC1CCCN1)c1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-11(2)9-20(10-12-4-3-7-19-12)13-5-6-14(16(18)21)15(17)8-13/h5-6,8,11-12,19H,3-4,7,9-10H2,1-2H3,(H2,18,21)
InChIKeyZHDRLWLIVCIXLP-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.65
Rot. Bonds6

About 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide

2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide (PubChem CID 106620604) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
PubChem CID106620604
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCC(C)CN(CC1CCCN1)c1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-11(2)9-20(10-12-4-3-7-19-12)13-5-6-14(16(18)21)15(17)8-13/h5-6,8,11-12,19H,3-4,7,9-10H2,1-2H3,(H2,18,21)
InChIKeyZHDRLWLIVCIXLP-UHFFFAOYSA-N
XLogP2.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]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

4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620717
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
CID 106620002
4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868
2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 107280969
3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine
CID 106620751
3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyrazine-2-carboxamide
CID 106620765
6-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620787
4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106600096
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611361
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide (CID 106620604) is 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide is CC(C)CN(CC1CCCN1)c1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The InChIKey is ZHDRLWLIVCIXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(2)9-20(10-12-4-3-7-19-12)13-5-6-14(16(18)21)15(17)8-13/h5-6,8,11-12,19H,3-4,7,9-10H2,1-2H3,(H2,18,21).
What are the key properties of 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide has a molecular weight of 309.84 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 106620604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).