3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide

C14H20ClN3O — CID 63304260

IUPAC3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide
SMILESCCCN(c1ccc(C(N)=O)cc1Cl)C1CCNC1
InChIInChI=1S/C14H20ClN3O/c1-2-7-18(11-5-6-17-9-11)13-4-3-10(14(16)19)8-12(13)15/h3-4,8,11,17H,2,5-7,9H2,1H3,(H2,16,19)
InChIKeyGNCAAVFBODENLT-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.02
Rot. Bonds5

About 3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide

3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide (PubChem CID 63304260) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide
PubChem CID63304260
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide
SMILESCCCN(c1ccc(C(N)=O)cc1Cl)C1CCNC1
InChIInChI=1S/C14H20ClN3O/c1-2-7-18(11-5-6-17-9-11)13-4-3-10(14(16)19)8-12(13)15/h3-4,8,11,17H,2,5-7,9H2,1H3,(H2,16,19)
InChIKeyGNCAAVFBODENLT-UHFFFAOYSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide
CID 63636499
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855
2-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304357
3-chloro-4-[cyclopropyl(propyl)amino]benzoic acid
CID 55179695
4-[ethyl(pyrrolidin-3-yl)amino]-3-nitrobenzamide
CID 63299887
4-amino-3-[cyclopropyl(propyl)amino]benzamide
CID 55188930
3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide
CID 63304442
6-chloro-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 63304490
3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride
CID 119933024
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451
methyl 4-chloro-3-[[propyl(pyrrolidin-3-yl)amino]methyl]benzoate
CID 120838250
N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
CID 63304180

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide?
The IUPAC name of 3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide (CID 63304260) is 3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide.
What is the SMILES notation for 3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide?
The canonical SMILES for 3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide is CCCN(c1ccc(C(N)=O)cc1Cl)C1CCNC1.
What is the InChIKey of 3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide?
The InChIKey is GNCAAVFBODENLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-7-18(11-5-6-17-9-11)13-4-3-10(14(16)19)8-12(13)15/h3-4,8,11,17H,2,5-7,9H2,1H3,(H2,16,19).
What are the key properties of 3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide?
3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide has a molecular weight of 281.79 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide is sourced from PubChem (CID 63304260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).