2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide

C14H9BrF2N2O3 — CID 140859837

IUPAC2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C14H9BrF2N2O3/c1-18(13-5-2-8(16)6-12(13)17)14(20)10-7-9(19(21)22)3-4-11(10)15/h2-7H,1H3
InChIKeyOZYYRXMMUQODSV-UHFFFAOYSA-N
MW371.14 g/mol
LogP3.91
Rot. Bonds3

About 2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide

2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide (PubChem CID 140859837) has the molecular formula C14H9BrF2N2O3 and a molecular weight of 371.14 g/mol. Its IUPAC name is 2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
PubChem CID140859837
Molecular FormulaC14H9BrF2N2O3
Molecular Weight371.14 g/mol
Exact Mass369.98
IUPAC Name2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C14H9BrF2N2O3/c1-18(13-5-2-8(16)6-12(13)17)14(20)10-7-9(19(21)22)3-4-11(10)15/h2-7H,1H3
InChIKeyOZYYRXMMUQODSV-UHFFFAOYSA-N
XLogP3.91
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.14
LogP ≤ 53.91
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-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
CID 122619129
2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide
CID 62161761
tert-butyl N-(2-bromo-4-nitrophenyl)-N-(2,4-difluorophenyl)carbamate
CID 146309600
2-[(2-bromo-5-nitrobenzoyl)-methylamino]-2-methylpropanoic acid
CID 62817082
2-bromo-N-methyl-5-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 62722480
(2-bromo-5-nitrobenzoyl)phosphonic acid
CID 19604558
2-bromo-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-nitrobenzamide
CID 112692035
1-(2,4-difluorophenyl)-3-(N-methyl-2,4-dinitroanilino)urea
CID 4546965
2-bromo-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046945
N-(4-bromo-3-methylphenyl)-N,2-dimethyl-4-nitrobenzamide
CID 86963083
N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 51298245
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-nitrobenzamide
CID 60527019

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide (CID 140859837) is 2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide is CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(F)cc1F.
What is the InChIKey of 2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
The InChIKey is OZYYRXMMUQODSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O3/c1-18(13-5-2-8(16)6-12(13)17)14(20)10-7-9(19(21)22)3-4-11(10)15/h2-7H,1H3.
What are the key properties of 2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide has a molecular weight of 371.14 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 140859837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).