[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone

C19H20N2O3 — CID 624667

IUPAC[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CCCCC1
InChIInChI=1S/C19H20N2O3/c22-19(14-7-3-1-4-8-14)17-13-16(21(23)24)11-12-18(17)20-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15,20H,2,5-6,9-10H2
InChIKeyFSGFTCLLTRJZBD-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.57
Rot. Bonds5

About [2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone

[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone (PubChem CID 624667) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is [2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
PubChem CID624667
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CCCCC1
InChIInChI=1S/C19H20N2O3/c22-19(14-7-3-1-4-8-14)17-13-16(21(23)24)11-12-18(17)20-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15,20H,2,5-6,9-10H2
InChIKeyFSGFTCLLTRJZBD-UHFFFAOYSA-N
XLogP4.57
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', '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

2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide
CID 3695480
(2-cyclohexyl-4-nitrophenyl)-phenylmethanone
CID 151612232
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884
2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514
2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide
CID 70067874
N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide
CID 154108561
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide
CID 11026488
N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide
CID 22467377

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone?
The IUPAC name of [2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone (CID 624667) is [2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone.
What is the SMILES notation for [2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone?
The canonical SMILES for [2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone is O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone?
The InChIKey is FSGFTCLLTRJZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19(14-7-3-1-4-8-14)17-13-16(21(23)24)11-12-18(17)20-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15,20H,2,5-6,9-10H2.
What are the key properties of [2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone?
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone has a molecular weight of 324.38 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone is sourced from PubChem (CID 624667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).