3-chloro-N-(2-methyl-3-nitrophenyl)benzamide

C14H11ClN2O3 — CID 4111070

IUPAC3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O3/c1-9-12(6-3-7-13(9)17(19)20)16-14(18)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,16,18)
InChIKeyMMUMNRYQKMJVPY-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.81
Rot. Bonds3

About 3-chloro-N-(2-methyl-3-nitrophenyl)benzamide

3-chloro-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 4111070) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID4111070
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O3/c1-9-12(6-3-7-13(9)17(19)20)16-14(18)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,16,18)
InChIKeyMMUMNRYQKMJVPY-UHFFFAOYSA-N
XLogP3.81
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.81
H-Bond Donors ≤ 51
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

3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide
CID 17142403
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011538
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796668
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-chloro-N-(2-methyl-3-nitrophenyl)benzamide (CID 4111070) is 3-chloro-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-methyl-3-nitrophenyl)benzamide is Cc1c(NC(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is MMUMNRYQKMJVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-9-12(6-3-7-13(9)17(19)20)16-14(18)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,16,18).
What are the key properties of 3-chloro-N-(2-methyl-3-nitrophenyl)benzamide?
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 290.71 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 4111070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).