2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide

C13H17N3O4 — CID 141015249

IUPAC2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1
InChIInChI=1S/C13H17N3O4/c14-13(18)11-7-9(16(19)20)3-6-12(11)15-8-1-4-10(17)5-2-8/h3,6-8,10,15,17H,1-2,4-5H2,(H2,14,18)
InChIKeyDIOMDWFCSYIPSD-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.41
Rot. Bonds4

About 2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide

2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide (PubChem CID 141015249) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
PubChem CID141015249
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1
InChIInChI=1S/C13H17N3O4/c14-13(18)11-7-9(16(19)20)3-6-12(11)15-8-1-4-10(17)5-2-8/h3,6-8,10,15,17H,1-2,4-5H2,(H2,14,18)
InChIKeyDIOMDWFCSYIPSD-UHFFFAOYSA-N
XLogP1.41
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-nitro-2-(piperidin-3-ylamino)benzamide
CID 63318654
2-[(2-methylpiperidin-4-yl)amino]-5-nitrobenzamide
CID 106996191
5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 118939356
4-(2-chloro-5-nitroanilino)cyclohexan-1-ol
CID 106593945
2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide
CID 133296202
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
1-N-cyclopropyl-4-nitrobenzene-1,2-diamine
CID 46941382
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
tert-butyl (3R)-3-(2-carbamoyl-4-nitroanilino)piperidine-1-carboxylate
CID 124907561
N-(1-benzothiophen-2-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 22467406
4-(2-cyano-4-nitroanilino)cyclohexane-1-carboxamide
CID 60725680
N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide
CID 22467377

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide (CID 141015249) is 2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide is NC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide?
The InChIKey is DIOMDWFCSYIPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-13(18)11-7-9(16(19)20)3-6-12(11)15-8-1-4-10(17)5-2-8/h3,6-8,10,15,17H,1-2,4-5H2,(H2,14,18).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide?
2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide has a molecular weight of 279.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide is sourced from PubChem (CID 141015249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).