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

C14H9ClF2N2O3 — CID 122619129

IUPAC2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C14H9ClF2N2O3/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
InChIKeyFORIVQPBLCGHJA-UHFFFAOYSA-N
MW326.69 g/mol
LogP3.80
Rot. Bonds3

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

2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide (PubChem CID 122619129) has the molecular formula C14H9ClF2N2O3 and a molecular weight of 326.69 g/mol. Its IUPAC name is 2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
PubChem CID122619129
Molecular FormulaC14H9ClF2N2O3
Molecular Weight326.69 g/mol
Exact Mass326.03
IUPAC Name2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C14H9ClF2N2O3/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
InChIKeyFORIVQPBLCGHJA-UHFFFAOYSA-N
XLogP3.80
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.69
LogP ≤ 53.80
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-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
CID 140859837
N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 51298245
2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide
CID 62161761
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
N-(azetidin-3-yl)-2-chloro-N-methyl-5-nitrobenzamide
CID 66185472
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 122618117
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219
N,N-di(butan-2-yl)-2-chloro-5-nitrobenzamide
CID 4526092
2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-N-methyl-5-nitrobenzamide
CID 133431053

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide (CID 122619129) is 2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide is CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1F.
What is the InChIKey of 2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
The InChIKey is FORIVQPBLCGHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O3/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-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide has a molecular weight of 326.69 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 122619129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).