5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide

C11H14ClN3O2 — CID 107195728

IUPAC5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1N1CCC(O)C1
InChIInChI=1S/C11H14ClN3O2/c12-9-4-6(13)3-8(11(14)17)10(9)15-2-1-7(16)5-15/h3-4,7,16H,1-2,5,13H2,(H2,14,17)
InChIKeyBYKSVUDXORCOEL-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.59
Rot. Bonds2

About 5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide

5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide (PubChem CID 107195728) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide
PubChem CID107195728
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1N1CCC(O)C1
InChIInChI=1S/C11H14ClN3O2/c12-9-4-6(13)3-8(11(14)17)10(9)15-2-1-7(16)5-15/h3-4,7,16H,1-2,5,13H2,(H2,14,17)
InChIKeyBYKSVUDXORCOEL-UHFFFAOYSA-N
XLogP0.59
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-fluoro-5-(3-hydroxypyrrolidin-1-yl)benzamide
CID 62943837
2-Amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide
CID 106673186
5-Amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide
CID 107193570
5-Amino-3-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzamide
CID 107195385
5-Amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide
CID 107195388
5-Amino-3-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzamide
CID 107195391
5-Amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
CID 107195938
5-Amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide
CID 107196149
5-Amino-3-chloro-2-(2,2-difluoroethylamino)benzamide
CID 107196439
5-Amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide
CID 107196445
5-Amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide
CID 107196799
5-Amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide
CID 107484005

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide (CID 107195728) is 5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide is NC(=O)c1cc(N)cc(Cl)c1N1CCC(O)C1.
What is the InChIKey of 5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide?
The InChIKey is BYKSVUDXORCOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-4-6(13)3-8(11(14)17)10(9)15-2-1-7(16)5-15/h3-4,7,16H,1-2,5,13H2,(H2,14,17).
What are the key properties of 5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide?
5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide has a molecular weight of 255.70 g/mol, XLogP of 0.59, 2 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-hydroxypyrrolidin-1-yl)benzamide is sourced from PubChem (CID 107195728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).