2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide

C20H12Cl2N4O6 — CID 175916041

IUPAC2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(-c2ccc([N+](=O)[O-])cc2Cl)c1-c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C20H12Cl2N4O6/c21-15-7-9(25(29)30)1-3-11(15)17-13(19(23)27)5-6-14(20(24)28)18(17)12-4-2-10(26(31)32)8-16(12)22/h1-8H,(H2,23,27)(H2,24,28)
InChIKeyCGWCGIMCVUUUSZ-UHFFFAOYSA-N
MW475.24 g/mol
LogP4.34
Rot. Bonds6

About 2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide

2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide (PubChem CID 175916041) has the molecular formula C20H12Cl2N4O6 and a molecular weight of 475.24 g/mol. Its IUPAC name is 2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide
PubChem CID175916041
Molecular FormulaC20H12Cl2N4O6
Molecular Weight475.24 g/mol
Exact Mass474.01
IUPAC Name2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(-c2ccc([N+](=O)[O-])cc2Cl)c1-c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C20H12Cl2N4O6/c21-15-7-9(25(29)30)1-3-11(15)17-13(19(23)27)5-6-14(20(24)28)18(17)12-4-2-10(26(31)32)8-16(12)22/h1-8H,(H2,23,27)(H2,24,28)
InChIKeyCGWCGIMCVUUUSZ-UHFFFAOYSA-N
XLogP4.34
TPSA172.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.24
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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CID 23673793
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2-ethyl-4-nitrobenzamide
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N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 71563503
CID 161054765
CID 161054765
[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl] 2-chloro-4-nitrobenzoate
CID 7035435
[(2S)-1-methoxy-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate
CID 7312688
[(2R)-1-methoxy-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate
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2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 25418108

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide (CID 175916041) is 2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(N)=O)c(-c2ccc([N+](=O)[O-])cc2Cl)c1-c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide?
The InChIKey is CGWCGIMCVUUUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4O6/c21-15-7-9(25(29)30)1-3-11(15)17-13(19(23)27)5-6-14(20(24)28)18(17)12-4-2-10(26(31)32)8-16(12)22/h1-8H,(H2,23,27)(H2,24,28).
What are the key properties of 2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide?
2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide has a molecular weight of 475.24 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 175916041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).