2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide

C14H8Cl3N3O4 — CID 19006407

IUPAC2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H8Cl3N3O4/c15-8-2-1-3-9(16)12(8)13(21)19-14(22)18-7-4-5-11(20(23)24)10(17)6-7/h1-6H,(H2,18,19,21,22)
InChIKeyGFMXNOKRDYTZCC-UHFFFAOYSA-N
MW388.59 g/mol
LogP4.52
Rot. Bonds3

About 2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide

2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide (PubChem CID 19006407) has the molecular formula C14H8Cl3N3O4 and a molecular weight of 388.59 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide
PubChem CID19006407
Molecular FormulaC14H8Cl3N3O4
Molecular Weight388.59 g/mol
Exact Mass386.96
IUPAC Name2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H8Cl3N3O4/c15-8-2-1-3-9(16)12(8)13(21)19-14(22)18-7-4-5-11(20(23)24)10(17)6-7/h1-6H,(H2,18,19,21,22)
InChIKeyGFMXNOKRDYTZCC-UHFFFAOYSA-N
XLogP4.52
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.59
LogP ≤ 54.52
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

N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]-2,6-dinitrobenzamide
CID 15721590
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide
CID 19006403
N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 78948733
4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide
CID 78924091
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 79118519
3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide (CID 19006407) is 2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide?
The InChIKey is GFMXNOKRDYTZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O4/c15-8-2-1-3-9(16)12(8)13(21)19-14(22)18-7-4-5-11(20(23)24)10(17)6-7/h1-6H,(H2,18,19,21,22).
What are the key properties of 2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide?
2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide has a molecular weight of 388.59 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide is sourced from PubChem (CID 19006407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).