2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide

C18H19Cl2NO2 — CID 75866116

IUPAC2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCC(OCCCNC(=O)c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C18H19Cl2NO2/c1-13(14-7-3-2-4-8-14)23-12-6-11-21-18(22)15-9-5-10-16(19)17(15)20/h2-5,7-10,13H,6,11-12H2,1H3,(H,21,22)
InChIKeyNKSWRJCYAJZXPC-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.89
Rot. Bonds7

About 2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide

2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide (PubChem CID 75866116) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
PubChem CID75866116
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCC(OCCCNC(=O)c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C18H19Cl2NO2/c1-13(14-7-3-2-4-8-14)23-12-6-11-21-18(22)15-9-5-10-16(19)17(15)20/h2-5,7-10,13H,6,11-12H2,1H3,(H,21,22)
InChIKeyNKSWRJCYAJZXPC-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 46632667
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide
CID 30786383
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
5-chloro-2-methylsulfanyl-N-[3-(1-phenylethoxy)propyl]pyrimidine-4-carboxamide
CID 24678152
4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide
CID 156874708
N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
CID 24678149

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide (CID 75866116) is 2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide is CC(OCCCNC(=O)c1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide?
The InChIKey is NKSWRJCYAJZXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-13(14-7-3-2-4-8-14)23-12-6-11-21-18(22)15-9-5-10-16(19)17(15)20/h2-5,7-10,13H,6,11-12H2,1H3,(H,21,22).
What are the key properties of 2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide?
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide has a molecular weight of 352.26 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 75866116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).