4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide

C15H10ClF2N3O4 — CID 7930157

IUPAC4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10ClF2N3O4/c16-10-3-1-8(5-13(10)21(24)25)15(23)19-7-14(22)20-9-2-4-11(17)12(18)6-9/h1-6H,7H2,(H,19,23)(H,20,22)
InChIKeyKBNTVPNZZLAQGA-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.89
Rot. Bonds5

About 4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide

4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide (PubChem CID 7930157) has the molecular formula C15H10ClF2N3O4 and a molecular weight of 369.71 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide
PubChem CID7930157
Molecular FormulaC15H10ClF2N3O4
Molecular Weight369.71 g/mol
Exact Mass369.03
IUPAC Name4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10ClF2N3O4/c16-10-3-1-8(5-13(10)21(24)25)15(23)19-7-14(22)20-9-2-4-11(17)12(18)6-9/h1-6H,7H2,(H,19,23)(H,20,22)
InChIKeyKBNTVPNZZLAQGA-UHFFFAOYSA-N
XLogP2.89
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.89
H-Bond Donors ≤ 52
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

2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
CID 7973820
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 7707047
[2-(3-methylanilino)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 7877296
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 4783926
(2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 7877303
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661556
4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide (CID 7930157) is 4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide is O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is KBNTVPNZZLAQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O4/c16-10-3-1-8(5-13(10)21(24)25)15(23)19-7-14(22)20-9-2-4-11(17)12(18)6-9/h1-6H,7H2,(H,19,23)(H,20,22).
What are the key properties of 4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide?
4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 369.71 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 7930157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).