N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide

C15H13ClN2O4 — CID 9209754

IUPACN-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O4/c1-22-14-7-6-11(18(20)21)8-12(14)15(19)17-9-10-4-2-3-5-13(10)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeySFXYRCDSIHHGKK-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.19
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide

N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide (PubChem CID 9209754) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
PubChem CID9209754
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O4/c1-22-14-7-6-11(18(20)21)8-12(14)15(19)17-9-10-4-2-3-5-13(10)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeySFXYRCDSIHHGKK-UHFFFAOYSA-N
XLogP3.19
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256
N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
CID 38898126
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 9481549
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-nitrobenzamide
CID 25480247
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9269435
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
methyl 2-[(2-chlorophenyl)methoxy]-5-nitrobenzoate
CID 91681745
2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
CID 115598875
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 54785579
2-methoxy-5-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 25498860

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide (CID 9209754) is N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide?
The InChIKey is SFXYRCDSIHHGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-22-14-7-6-11(18(20)21)8-12(14)15(19)17-9-10-4-2-3-5-13(10)16/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide?
N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide has a molecular weight of 320.73 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 9209754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).