2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide

C14H10ClFN2O3 — CID 4827643

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
SMILESO=C(NCc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H10ClFN2O3/c15-12-7-10(18(20)21)5-6-11(12)14(19)17-8-9-3-1-2-4-13(9)16/h1-7H,8H2,(H,17,19)
InChIKeyTUHNTFOGVPTCOQ-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.32
Rot. Bonds4

About 2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide

2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide (PubChem CID 4827643) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
PubChem CID4827643
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
SMILESO=C(NCc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H10ClFN2O3/c15-12-7-10(18(20)21)5-6-11(12)14(19)17-8-9-3-1-2-4-13(9)16/h1-7H,8H2,(H,17,19)
InChIKeyTUHNTFOGVPTCOQ-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
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-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
CID 115598875
[2-[[(2-chloro-4-nitrobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073119
2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 35613298
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
N-(3-aminopropyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119405869
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
CID 38898126
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
2,4-dichloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 9047368

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide (CID 4827643) is 2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide is O=C(NCc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide?
The InChIKey is TUHNTFOGVPTCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-12-7-10(18(20)21)5-6-11(12)14(19)17-8-9-3-1-2-4-13(9)16/h1-7H,8H2,(H,17,19).
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide?
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide has a molecular weight of 308.70 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 4827643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).