2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide

C11H15N3O5 — CID 112551984

IUPAC2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide
SMILESNc1c(C(=O)N(CCO)CCO)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c12-10-8(2-1-3-9(10)14(18)19)11(17)13(4-6-15)5-7-16/h1-3,15-16H,4-7,12H2
InChIKeyRRQFHRHZEKNFDO-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.40
Rot. Bonds6

About 2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide

2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide (PubChem CID 112551984) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide
PubChem CID112551984
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide
SMILESNc1c(C(=O)N(CCO)CCO)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c12-10-8(2-1-3-9(10)14(18)19)11(17)13(4-6-15)5-7-16/h1-3,15-16H,4-7,12H2
InChIKeyRRQFHRHZEKNFDO-UHFFFAOYSA-N
XLogP-0.40
TPSA129.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107485996
2-amino-N,N-dimethyl-3-nitrobenzamide
CID 58736106
2-amino-N-ethyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 115678872
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107486313
2-amino-N-butan-2-yl-N-ethyl-3-nitrobenzamide
CID 112580586
2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 115678617
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide
CID 103191098
2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide
CID 103733862
2-amino-N-(cyclobutylmethyl)-N-methyl-3-nitrobenzamide
CID 112696757
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679
2-amino-N-(1-cyanopropan-2-yl)-N-methyl-3-nitrobenzamide
CID 112696662
2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
CID 115678607

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide (CID 112551984) is 2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide is Nc1c(C(=O)N(CCO)CCO)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide?
The InChIKey is RRQFHRHZEKNFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c12-10-8(2-1-3-9(10)14(18)19)11(17)13(4-6-15)5-7-16/h1-3,15-16H,4-7,12H2.
What are the key properties of 2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide?
2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide has a molecular weight of 269.26 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide is sourced from PubChem (CID 112551984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).