N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide

C17H17ClN2O2 — CID 28642307

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c18-15-9-5-4-8-14(15)17(22)20(11-10-16(19)21)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)
InChIKeySTONBRJADYABGF-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.86
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide

N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide (PubChem CID 28642307) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
PubChem CID28642307
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c18-15-9-5-4-8-14(15)17(22)20(11-10-16(19)21)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)
InChIKeySTONBRJADYABGF-UHFFFAOYSA-N
XLogP2.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
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CID 28642997
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
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3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
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CID 134003290
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N',N'-dibenzylbutanediamide
CID 101024490
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
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CID 54875316
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N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide (CID 28642307) is N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide is NC(=O)CCN(Cc1ccccc1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide?
The InChIKey is STONBRJADYABGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-15-9-5-4-8-14(15)17(22)20(11-10-16(19)21)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide?
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide has a molecular weight of 316.79 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide is sourced from PubChem (CID 28642307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).