4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide

C11H14ClN3O4 — CID 62338016

IUPAC4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
SMILESCC(O)CN(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14ClN3O4/c1-6(16)5-14(2)11(17)7-3-8(12)10(13)9(4-7)15(18)19/h3-4,6,16H,5,13H2,1-2H3
InChIKeyVSZKLRINEABSSR-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.28
Rot. Bonds4

About 4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide

4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide (PubChem CID 62338016) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
PubChem CID62338016
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
SMILESCC(O)CN(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14ClN3O4/c1-6(16)5-14(2)11(17)7-3-8(12)10(13)9(4-7)15(18)19/h3-4,6,16H,5,13H2,1-2H3
InChIKeyVSZKLRINEABSSR-UHFFFAOYSA-N
XLogP1.28
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-nitrobenzamide
CID 79385580
4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide
CID 55041700
4-amino-3-chloro-N-(2-cyanopropyl)-N-ethyl-5-nitrobenzamide
CID 62186654
4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 62154937
4-amino-3-chloro-5-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 83145025
4-amino-N,N-dimethyl-3,5-dinitrobenzamide
CID 86098772
4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide
CID 62162114
N-(2-acetamidoethyl)-4-amino-3-chloro-5-nitrobenzamide
CID 62155140
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-nitrobenzamide
CID 107401352
4-amino-3-chloro-N-methyl-5-nitro-N-(thiolan-3-yl)benzamide
CID 62156139
4-amino-3-chloro-N-hexan-2-yl-5-nitrobenzamide
CID 62199360
4-amino-3-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-nitrobenzamide
CID 62979445

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide?
The IUPAC name of 4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide (CID 62338016) is 4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide?
The canonical SMILES for 4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide is CC(O)CN(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide?
The InChIKey is VSZKLRINEABSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-6(16)5-14(2)11(17)7-3-8(12)10(13)9(4-7)15(18)19/h3-4,6,16H,5,13H2,1-2H3.
What are the key properties of 4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide?
4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide has a molecular weight of 287.70 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 62338016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).