4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide

C14H9ClF2N2O4 — CID 9405128

IUPAC4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClF2N2O4/c15-8-1-6-11(12(7-8)19(21)22)13(20)18-9-2-4-10(5-3-9)23-14(16)17/h1-7,14H,(H,18,20)
InChIKeyORCBYTDTEQSAAF-UHFFFAOYSA-N
MW342.69 g/mol
LogP4.10
Rot. Bonds5

About 4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide

4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide (PubChem CID 9405128) has the molecular formula C14H9ClF2N2O4 and a molecular weight of 342.69 g/mol. Its IUPAC name is 4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
PubChem CID9405128
Molecular FormulaC14H9ClF2N2O4
Molecular Weight342.69 g/mol
Exact Mass342.02
IUPAC Name4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClF2N2O4/c15-8-1-6-11(12(7-8)19(21)22)13(20)18-9-2-4-10(5-3-9)23-14(16)17/h1-7,14H,(H,18,20)
InChIKeyORCBYTDTEQSAAF-UHFFFAOYSA-N
XLogP4.10
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.69
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-2-nitrobenzamide
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4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
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4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
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4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
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5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 34198576
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide (CID 9405128) is 4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide?
The InChIKey is ORCBYTDTEQSAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O4/c15-8-1-6-11(12(7-8)19(21)22)13(20)18-9-2-4-10(5-3-9)23-14(16)17/h1-7,14H,(H,18,20).
What are the key properties of 4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide?
4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide has a molecular weight of 342.69 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 9405128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).