2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide

C10H10Cl2N2O4 — CID 107191723

IUPAC2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide
SMILESC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2N2O4/c1-5(4-15)13-10(16)7-2-6(14(17)18)3-8(11)9(7)12/h2-3,5,15H,4H2,1H3,(H,13,16)/t5-/m0/s1
InChIKeyDAZILGDEHKSSRA-YFKPBYRVSA-N
MW293.11 g/mol
LogP2.01
Rot. Bonds4

About 2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide

2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide (PubChem CID 107191723) has the molecular formula C10H10Cl2N2O4 and a molecular weight of 293.11 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide
PubChem CID107191723
Molecular FormulaC10H10Cl2N2O4
Molecular Weight293.11 g/mol
Exact Mass292.00
IUPAC Name2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide
SMILESC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2N2O4/c1-5(4-15)13-10(16)7-2-6(14(17)18)3-8(11)9(7)12/h2-3,5,15H,4H2,1H3,(H,13,16)/t5-/m0/s1
InChIKeyDAZILGDEHKSSRA-YFKPBYRVSA-N
XLogP2.01
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,3-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-nitrobenzamide
CID 107189107
N-(4-amino-4-oxobutan-2-yl)-2,3-dichloro-5-nitrobenzamide
CID 107189491
2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide
CID 43419368
2,3-dichloro-N-[(2R)-1-hydroxybutan-2-yl]-5-nitrobenzamide
CID 107191756
N-(1-hydroxypropan-2-yl)-2-methyl-3,5-dinitrobenzamide
CID 78857037
(2S)-2-[(2,3-dichloro-5-nitrobenzoyl)amino]pentanoic acid
CID 107564256
2,3-dichloro-N-(2-hydroxy-3-methylbutyl)-5-nitrobenzamide
CID 107189473
N-(2-amino-3-methylbutyl)-2,3-dichloro-5-nitrobenzamide
CID 107191983
4-[(2,3-dichloro-5-nitrobenzoyl)amino]-2-methylbutanoic acid
CID 107186494
2,3-dichloro-N-(2-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 107189674
N-[(2R)-butan-2-yl]-2-chloro-5-nitrobenzamide
CID 40537964
2-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 107200617

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide?
The IUPAC name of 2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide (CID 107191723) is 2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide.
What is the SMILES notation for 2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide?
The canonical SMILES for 2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide is C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide?
The InChIKey is DAZILGDEHKSSRA-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10Cl2N2O4/c1-5(4-15)13-10(16)7-2-6(14(17)18)3-8(11)9(7)12/h2-3,5,15H,4H2,1H3,(H,13,16)/t5-/m0/s1.
What are the key properties of 2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide?
2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide has a molecular weight of 293.11 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide is sourced from PubChem (CID 107191723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).