2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide

C15H19ClN2O3 — CID 60732997

IUPAC2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide
SMILESCC(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1
InChIInChI=1S/C15H19ClN2O3/c1-10(2)7-8-17(11-3-4-11)15(19)13-9-12(18(20)21)5-6-14(13)16/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyWSNTZZMWBBPQQD-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.90
Rot. Bonds6

About 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide

2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide (PubChem CID 60732997) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide
PubChem CID60732997
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide
SMILESCC(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1
InChIInChI=1S/C15H19ClN2O3/c1-10(2)7-8-17(11-3-4-11)15(19)13-9-12(18(20)21)5-6-14(13)16/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyWSNTZZMWBBPQQD-UHFFFAOYSA-N
XLogP3.90
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.90
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

2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107026530
2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide
CID 104593364
2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
CID 43081835
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545
N,N-di(butan-2-yl)-2-chloro-5-nitrobenzamide
CID 4526092
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78888779
3-amino-N-cyclopropyl-N-(3-methylbutyl)-2-nitrobenzamide
CID 115548879
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55774441
N-(azetidin-3-yl)-2-chloro-N-methyl-5-nitrobenzamide
CID 66185472
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
CID 63865891
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide (CID 60732997) is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide is CC(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide?
The InChIKey is WSNTZZMWBBPQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10(2)7-8-17(11-3-4-11)15(19)13-9-12(18(20)21)5-6-14(13)16/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide?
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide has a molecular weight of 310.78 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide is sourced from PubChem (CID 60732997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).