4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide

C14H18ClN3O2 — CID 168988063

IUPAC4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESC[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2/c1-9-3-2-6-18(9)13(19)8-17-14(20)10-4-5-12(16)11(15)7-10/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,20)/t9-/m1/s1
InChIKeyNWINKCHBOWUQGF-SECBINFHSA-N
MW295.77 g/mol
LogP1.66
Rot. Bonds3

About 4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide

4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 168988063) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
PubChem CID168988063
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESC[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2/c1-9-3-2-6-18(9)13(19)8-17-14(20)10-4-5-12(16)11(15)7-10/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,20)/t9-/m1/s1
InChIKeyNWINKCHBOWUQGF-SECBINFHSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 168988063) is 4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide is C[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is NWINKCHBOWUQGF-SECBINFHSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9-3-2-6-18(9)13(19)8-17-14(20)10-4-5-12(16)11(15)7-10/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,20)/t9-/m1/s1.
What are the key properties of 4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide?
4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 295.77 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 168988063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).