2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide

C14H7Cl2F2N3O4 — CID 11567289

IUPAC2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide
SMILESO=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H7Cl2F2N3O4/c15-8-2-1-6(21(24)25)3-12(8)19-14(23)20-13(22)7-4-10(17)11(18)5-9(7)16/h1-5H,(H2,19,20,22,23)
InChIKeyIUBFMVVYTMOVOK-UHFFFAOYSA-N
MW390.13 g/mol
LogP4.14
Rot. Bonds3

About 2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide

2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide (PubChem CID 11567289) has the molecular formula C14H7Cl2F2N3O4 and a molecular weight of 390.13 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide
PubChem CID11567289
Molecular FormulaC14H7Cl2F2N3O4
Molecular Weight390.13 g/mol
Exact Mass388.98
IUPAC Name2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide
SMILESO=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H7Cl2F2N3O4/c15-8-2-1-6(21(24)25)3-12(8)19-14(23)20-13(22)7-4-10(17)11(18)5-9(7)16/h1-5H,(H2,19,20,22,23)
InChIKeyIUBFMVVYTMOVOK-UHFFFAOYSA-N
XLogP4.14
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.13
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
2,4-dichloro-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide
CID 3966361
2-chloro-N-[2-(2-chloro-4-nitroanilino)ethyl]-4,5-difluorobenzamide
CID 2845121
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
1-(2-chloro-5-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655175

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide (CID 11567289) is 2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide is O=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide?
The InChIKey is IUBFMVVYTMOVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F2N3O4/c15-8-2-1-6(21(24)25)3-12(8)19-14(23)20-13(22)7-4-10(17)11(18)5-9(7)16/h1-5H,(H2,19,20,22,23).
What are the key properties of 2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide?
2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide has a molecular weight of 390.13 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide is sourced from PubChem (CID 11567289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).