N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide

C15H11ClF2N2O3 — CID 51298245

IUPACN-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide
SMILESCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2N2O3/c1-19(15(21)12-4-2-10(17)7-14(12)18)8-9-6-11(20(22)23)3-5-13(9)16/h2-7H,8H2,1H3
InChIKeyHSAFXBWAZNOBIE-UHFFFAOYSA-N
MW340.71 g/mol
LogP3.80
Rot. Bonds4

About N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide

N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide (PubChem CID 51298245) has the molecular formula C15H11ClF2N2O3 and a molecular weight of 340.71 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide
PubChem CID51298245
Molecular FormulaC15H11ClF2N2O3
Molecular Weight340.71 g/mol
Exact Mass340.04
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide
SMILESCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2N2O3/c1-19(15(21)12-4-2-10(17)7-14(12)18)8-9-6-11(20(22)23)3-5-13(9)16/h2-7H,8H2,1H3
InChIKeyHSAFXBWAZNOBIE-UHFFFAOYSA-N
XLogP3.80
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.71
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

N-[(2-chloro-5-nitrophenyl)methyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 16962037
N-[(2-chloro-5-nitrophenyl)methyl]-N,2-dimethyl-3,5-dinitrobenzamide
CID 78825891
N-[(2-chloro-5-nitrophenyl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 71901006
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-methylsulfanylbenzamide
CID 86914869
2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
CID 122619129
N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide
CID 51298848
N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 51298851
N-[(2-chloro-5-nitrophenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 51258327
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-propan-2-ylquinoline-4-carboxamide
CID 18132158
(2-fluoro-5-nitrophenyl)methyl-methylcarbamic acid
CID 122652855
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
N-[(2-chloro-5-nitrophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 51268613

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide (CID 51298245) is N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide is CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
The InChIKey is HSAFXBWAZNOBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O3/c1-19(15(21)12-4-2-10(17)7-14(12)18)8-9-6-11(20(22)23)3-5-13(9)16/h2-7H,8H2,1H3.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide has a molecular weight of 340.71 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 51298245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).