2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide

C13H15ClN2O3 — CID 63865891

IUPAC2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
SMILESCC1CC1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-8-5-9(8)7-15(2)13(17)11-6-10(16(18)19)3-4-12(11)14/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeySPYMTZUDQRXHMA-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.98
Rot. Bonds4

About 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide

2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide (PubChem CID 63865891) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
PubChem CID63865891
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
SMILESCC1CC1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-8-5-9(8)7-15(2)13(17)11-6-10(16(18)19)3-4-12(11)14/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeySPYMTZUDQRXHMA-UHFFFAOYSA-N
XLogP2.98
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.98
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-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 102741846
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide
CID 63866427
N-(azetidin-3-yl)-2-chloro-N-methyl-5-nitrobenzamide
CID 66185472
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-5-nitrobenzamide
CID 78801742
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 43564505
N,N-di(butan-2-yl)-2-chloro-5-nitrobenzamide
CID 4526092
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 63861542
5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 63863167
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81233422
2-chloro-N-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 43396643
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 60732997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide (CID 63865891) is 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide is CC1CC1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide?
The InChIKey is SPYMTZUDQRXHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8-5-9(8)7-15(2)13(17)11-6-10(16(18)19)3-4-12(11)14/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide?
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide has a molecular weight of 282.73 g/mol, XLogP of 2.98, 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-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 63865891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).