2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide

C19H20N4O5 — CID 3695480

IUPAC2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1NC1CCCCC1
InChIInChI=1S/C19H20N4O5/c24-19(21-14-6-8-15(9-7-14)22(25)26)17-12-16(23(27)28)10-11-18(17)20-13-4-2-1-3-5-13/h6-13,20H,1-5H2,(H,21,24)
InChIKeyZIDHLXHHZCBPEZ-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.50
Rot. Bonds6

About 2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide

2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide (PubChem CID 3695480) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide
PubChem CID3695480
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1NC1CCCCC1
InChIInChI=1S/C19H20N4O5/c24-19(21-14-6-8-15(9-7-14)22(25)26)17-12-16(23(27)28)10-11-18(17)20-13-4-2-1-3-5-13/h6-13,20H,1-5H2,(H,21,24)
InChIKeyZIDHLXHHZCBPEZ-UHFFFAOYSA-N
XLogP4.50
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.50
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

[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide
CID 22467377
2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide
CID 86904420
2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide
CID 70067874
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide
CID 71049986
2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide?
The IUPAC name of 2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide (CID 3695480) is 2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide?
The InChIKey is ZIDHLXHHZCBPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c24-19(21-14-6-8-15(9-7-14)22(25)26)17-12-16(23(27)28)10-11-18(17)20-13-4-2-1-3-5-13/h6-13,20H,1-5H2,(H,21,24).
What are the key properties of 2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide?
2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide has a molecular weight of 384.39 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 3695480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).