2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide

C16H15ClN2O3 — CID 18086811

IUPAC2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCC(c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-11(12-6-5-7-13(10-12)19(21)22)18(2)16(20)14-8-3-4-9-15(14)17/h3-11H,1-2H3
InChIKeyLTHAKZPSGCMAFW-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide

2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide (PubChem CID 18086811) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
PubChem CID18086811
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCC(c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-11(12-6-5-7-13(10-12)19(21)22)18(2)16(20)14-8-3-4-9-15(14)17/h3-11H,1-2H3
InChIKeyLTHAKZPSGCMAFW-UHFFFAOYSA-N
XLogP4.08
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
CID 51222342
5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408377
2-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 115588142
N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-phenylsulfanylpropanamide
CID 46449768
N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 24674767
2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 16960543
2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 103029241
5-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55740102
2-(azetidin-3-yl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 116678603
N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 46546081
N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
CID 43549226
N-[1-(3-benzamidophenyl)ethyl]-N-methyl-3-nitrobenzamide
CID 46533511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide (CID 18086811) is 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide is CC(c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The InChIKey is LTHAKZPSGCMAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-11(12-6-5-7-13(10-12)19(21)22)18(2)16(20)14-8-3-4-9-15(14)17/h3-11H,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide has a molecular weight of 318.76 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 18086811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).