5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide

C14H19ClN4O2 — CID 107196630

IUPAC5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCC(=O)N1CCCC1
InChIInChI=1S/C14H19ClN4O2/c15-11-8-9(16)7-10(14(17)21)13(11)18-4-3-12(20)19-5-1-2-6-19/h7-8,18H,1-6,16H2,(H2,17,21)
InChIKeyPMXTZLVVIYUVHF-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.45
Rot. Bonds5

About 5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide

5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide (PubChem CID 107196630) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
PubChem CID107196630
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCC(=O)N1CCCC1
InChIInChI=1S/C14H19ClN4O2/c15-11-8-9(16)7-10(14(17)21)13(11)18-4-3-12(20)19-5-1-2-6-19/h7-8,18H,1-6,16H2,(H2,17,21)
InChIKeyPMXTZLVVIYUVHF-UHFFFAOYSA-N
XLogP1.45
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 106890724
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
3-[(3-amino-5-chloro-4-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114285890
5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 107195432
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
CID 107194330

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide (CID 107196630) is 5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide is NC(=O)c1cc(N)cc(Cl)c1NCCC(=O)N1CCCC1.
What is the InChIKey of 5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide?
The InChIKey is PMXTZLVVIYUVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-11-8-9(16)7-10(14(17)21)13(11)18-4-3-12(20)19-5-1-2-6-19/h7-8,18H,1-6,16H2,(H2,17,21).
What are the key properties of 5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide?
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide has a molecular weight of 310.79 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide is sourced from PubChem (CID 107196630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).