N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide

C17H16Cl2N2O2 — CID 28642575

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-8-13(9-15(19)10-14)17(23)21(7-6-16(20)22)11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H2,20,22)
InChIKeyIFDOEEUWVMKCBR-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.51
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide

N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide (PubChem CID 28642575) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
PubChem CID28642575
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-8-13(9-15(19)10-14)17(23)21(7-6-16(20)22)11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H2,20,22)
InChIKeyIFDOEEUWVMKCBR-UHFFFAOYSA-N
XLogP3.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3,5-dichlorobenzamide
CID 28642848
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
CID 17397571
methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate
CID 28642596
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
N-[(3-amino-3-oxopropyl)-(2-phenylethyl)carbamothioyl]-3,5-dichlorobenzamide
CID 54789889
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N',N'-dibenzylbutanediamide
CID 101024490
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide (CID 28642575) is N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide is NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide?
The InChIKey is IFDOEEUWVMKCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-14-8-13(9-15(19)10-14)17(23)21(7-6-16(20)22)11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H2,20,22).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide?
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide has a molecular weight of 351.23 g/mol, XLogP of 3.51, 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-3,5-dichlorobenzamide is sourced from PubChem (CID 28642575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).