3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide

C14H10ClFN2O3 — CID 43346938

IUPAC3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(CCl)c1
InChIInChI=1S/C14H10ClFN2O3/c15-8-9-2-1-3-10(6-9)14(19)17-11-4-5-12(16)13(7-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyHTUCTLOOMWLECV-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.72
Rot. Bonds4

About 3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide

3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide (PubChem CID 43346938) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
PubChem CID43346938
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(CCl)c1
InChIInChI=1S/C14H10ClFN2O3/c15-8-9-2-1-3-10(6-9)14(19)17-11-4-5-12(16)13(7-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyHTUCTLOOMWLECV-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

3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-(4-fluoro-3-nitrophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17099336
3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
CID 43477757
3-(chloromethyl)-N-(3,4-dicyanophenyl)benzamide
CID 107788654
N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26696750
3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 24635072

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide (CID 43346938) is 3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The InChIKey is HTUCTLOOMWLECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-8-9-2-1-3-10(6-9)14(19)17-11-4-5-12(16)13(7-11)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of 3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide?
3-(chloromethyl)-N-(4-fluoro-3-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 3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide is sourced from PubChem (CID 43346938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).