2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

C14H20ClN3O — CID 61471794

IUPAC2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCC1)NC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H20ClN3O/c1-10(9-18-6-2-3-7-18)17-14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,2-3,6-7,9,16H2,1H3,(H,17,19)
InChIKeyTULHUCIFLKNNLJ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.14
Rot. Bonds4

About 2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 61471794) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID61471794
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCC1)NC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H20ClN3O/c1-10(9-18-6-2-3-7-18)17-14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,2-3,6-7,9,16H2,1H3,(H,17,19)
InChIKeyTULHUCIFLKNNLJ-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851476
4-amino-6-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 81240424
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
5-amino-2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62815269
2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025381
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025186
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
2-chloro-N-(1-piperidin-1-ylpropan-2-yl)furan-3-carboxamide
CID 106685808
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471974
4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 123915044

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 61471794) is 2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is CC(CN1CCCC1)NC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is TULHUCIFLKNNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10(9-18-6-2-3-7-18)17-14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,2-3,6-7,9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 281.79 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 61471794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).