3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide

C14H10BrClN2O3 — CID 103841663

IUPAC3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccc(Cl)c(Br)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrClN2O3/c1-8-12(3-2-4-13(8)18(20)21)17-14(19)9-5-6-11(16)10(15)7-9/h2-7H,1H3,(H,17,19)
InChIKeyPXSCBCMWOQDNJF-UHFFFAOYSA-N
MW369.60 g/mol
LogP4.57
Rot. Bonds3

About 3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide

3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 103841663) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID103841663
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccc(Cl)c(Br)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrClN2O3/c1-8-12(3-2-4-13(8)18(20)21)17-14(19)9-5-6-11(16)10(15)7-9/h2-7H,1H3,(H,17,19)
InChIKeyPXSCBCMWOQDNJF-UHFFFAOYSA-N
XLogP4.57
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 54.57
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-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
3-bromo-N-(2-methyl-3-nitrophenyl)-4-propoxybenzamide
CID 17342695
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011538
2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
CID 43012309
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
3-bromo-4-methoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 3261815
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240
3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide (CID 103841663) is 3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide is Cc1c(NC(=O)c2ccc(Cl)c(Br)c2)cccc1[N+](=O)[O-].
What is the InChIKey of 3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is PXSCBCMWOQDNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c1-8-12(3-2-4-13(8)18(20)21)17-14(19)9-5-6-11(16)10(15)7-9/h2-7H,1H3,(H,17,19).
What are the key properties of 3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide?
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 369.60 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 103841663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).