4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide

C20H18Cl2N4O6 — CID 3385359

IUPAC4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide
SMILESO=C(NC1CCCCC1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18Cl2N4O6/c21-13-7-5-11(9-17(13)25(29)30)19(27)23-15-3-1-2-4-16(15)24-20(28)12-6-8-14(22)18(10-12)26(31)32/h5-10,15-16H,1-4H2,(H,23,27)(H,24,28)
InChIKeyHCUAMDAFRLAOBR-UHFFFAOYSA-N
MW481.29 g/mol
LogP4.28
Rot. Bonds6

About 4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide

4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide (PubChem CID 3385359) has the molecular formula C20H18Cl2N4O6 and a molecular weight of 481.29 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide
PubChem CID3385359
Molecular FormulaC20H18Cl2N4O6
Molecular Weight481.29 g/mol
Exact Mass480.06
IUPAC Name4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide
SMILESO=C(NC1CCCCC1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18Cl2N4O6/c21-13-7-5-11(9-17(13)25(29)30)19(27)23-15-3-1-2-4-16(15)24-20(28)12-6-8-14(22)18(10-12)26(31)32/h5-10,15-16H,1-4H2,(H,23,27)(H,24,28)
InChIKeyHCUAMDAFRLAOBR-UHFFFAOYSA-N
XLogP4.28
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.29
LogP ≤ 54.28
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

4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
3-chloro-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 82780893
4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide
CID 3383684
4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2640742
3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 46799090
4-chloro-3-nitrobenzohydrazide
CID 3704353
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-nitrobenzamide
CID 104957120
4-chloro-3-nitro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491144
3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide
CID 82780340
[(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 98869594
4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
CID 18712030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide (CID 3385359) is 4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide is O=C(NC1CCCCC1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide?
The InChIKey is HCUAMDAFRLAOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O6/c21-13-7-5-11(9-17(13)25(29)30)19(27)23-15-3-1-2-4-16(15)24-20(28)12-6-8-14(22)18(10-12)26(31)32/h5-10,15-16H,1-4H2,(H,23,27)(H,24,28).
What are the key properties of 4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide?
4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide has a molecular weight of 481.29 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide is sourced from PubChem (CID 3385359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).