4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide

C14H10ClFN2O3 — CID 43346653

IUPAC4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(CCl)cc1
InChIInChI=1S/C14H10ClFN2O3/c15-8-9-1-3-10(4-2-9)14(19)17-12-6-5-11(16)7-13(12)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyVJPFCGLMYURMMN-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.72
Rot. Bonds4

About 4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide

4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide (PubChem CID 43346653) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide
PubChem CID43346653
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(CCl)cc1
InChIInChI=1S/C14H10ClFN2O3/c15-8-9-1-3-10(4-2-9)14(19)17-12-6-5-11(16)7-13(12)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyVJPFCGLMYURMMN-UHFFFAOYSA-N
XLogP3.72
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide
CID 43333434
4-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107743843
4-(chloromethyl)-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107334780
N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 61260209
4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide
CID 11485559
3-chloro-N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
CID 63679959
(4-fluoro-2-nitrophenyl)urea
CID 69476086
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
N-(2,3-dimethyl-4-nitrophenyl)-4-fluorobenzamide
CID 2938533

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide (CID 43346653) is 4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide is O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide?
The InChIKey is VJPFCGLMYURMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-8-9-1-3-10(4-2-9)14(19)17-12-6-5-11(16)7-13(12)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of 4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide?
4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide has a molecular weight of 308.70 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide is sourced from PubChem (CID 43346653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).