N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide

C13H4ClF5N2O3 — CID 3483393

IUPACN-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H4ClF5N2O3/c14-5-2-1-4(21(23)24)3-6(5)20-13(22)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H,(H,20,22)
InChIKeyTUGQTVUBMSOMKB-UHFFFAOYSA-N
MW366.63 g/mol
LogP4.20
Rot. Bonds3

About N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide

N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide (PubChem CID 3483393) has the molecular formula C13H4ClF5N2O3 and a molecular weight of 366.63 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
PubChem CID3483393
Molecular FormulaC13H4ClF5N2O3
Molecular Weight366.63 g/mol
Exact Mass365.98
IUPAC NameN-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H4ClF5N2O3/c14-5-2-1-4(21(23)24)3-6(5)20-13(22)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H,(H,20,22)
InChIKeyTUGQTVUBMSOMKB-UHFFFAOYSA-N
XLogP4.20
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.63
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide
CID 11567289
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide (CID 3483393) is N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is TUGQTVUBMSOMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4ClF5N2O3/c14-5-2-1-4(21(23)24)3-6(5)20-13(22)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H,(H,20,22).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide?
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 366.63 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 3483393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).