N-(3-amino-3-oxopropyl)-4-chlorobenzamide

C10H11ClN2O2 — CID 2556174

IUPACN-(3-amino-3-oxopropyl)-4-chlorobenzamide
SMILESNC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2/c11-8-3-1-7(2-4-8)10(15)13-6-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)
InChIKeyXTDMTWIALHOHNX-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.95
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-4-chlorobenzamide

N-(3-amino-3-oxopropyl)-4-chlorobenzamide (PubChem CID 2556174) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-4-chlorobenzamide
PubChem CID2556174
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC NameN-(3-amino-3-oxopropyl)-4-chlorobenzamide
SMILESNC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2/c11-8-3-1-7(2-4-8)10(15)13-6-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)
InChIKeyXTDMTWIALHOHNX-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-4-chlorobenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-4-chlorobenzamide (CID 2556174) is N-(3-amino-3-oxopropyl)-4-chlorobenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-4-chlorobenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-4-chlorobenzamide is NC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-4-chlorobenzamide?
The InChIKey is XTDMTWIALHOHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-8-3-1-7(2-4-8)10(15)13-6-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15).
What are the key properties of N-(3-amino-3-oxopropyl)-4-chlorobenzamide?
N-(3-amino-3-oxopropyl)-4-chlorobenzamide has a molecular weight of 226.66 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-4-chlorobenzamide is sourced from PubChem (CID 2556174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).