N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride

C11H16ClN3O3 — CID 120829926

IUPACN-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-8(12-2)7-13-11(15)9-4-3-5-10(6-9)14(16)17;/h3-6,8,12H,7H2,1-2H3,(H,13,15);1H
InChIKeyCLPKTFXSKBNMCQ-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.35
Rot. Bonds5

About N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride

N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride (PubChem CID 120829926) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
PubChem CID120829926
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC NameN-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-8(12-2)7-13-11(15)9-4-3-5-10(6-9)14(16)17;/h3-6,8,12H,7H2,1-2H3,(H,13,15);1H
InChIKeyCLPKTFXSKBNMCQ-UHFFFAOYSA-N
XLogP1.35
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.35
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

N-(2-hydroxy-4-methylpentyl)-3-nitrobenzamide
CID 103771399
N-(3,3-difluoro-2-hydroxypropyl)-3-nitrobenzamide
CID 113258598
N-(4-methylpentyl)-3-nitrobenzamide
CID 3280020
4-methyl-5-[(3-nitrobenzoyl)amino]pentanoic acid
CID 82684189
N-(3-methyl-2-oxobutyl)-3-nitrobenzamide
CID 64994183
N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 18712222
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-nitrobenzamide
CID 90496756
N-[2-(methylamino)propyl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 120826695
methyl 2-chloro-3-[(3-nitrobenzoyl)amino]propanoate
CID 103493027
3-methyl-N-[2-(methylamino)propyl]-4-nitrobenzamide
CID 120832355
N-(2-chloro-4,4-dimethylpentyl)-3-nitrobenzamide
CID 107156902
N-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-3-nitrobenzamide
CID 43019458

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride (CID 120829926) is N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride is CNC(C)CNC(=O)c1cccc([N+](=O)[O-])c1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
The InChIKey is CLPKTFXSKBNMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3.ClH/c1-8(12-2)7-13-11(15)9-4-3-5-10(6-9)14(16)17;/h3-6,8,12H,7H2,1-2H3,(H,13,15);1H.
What are the key properties of N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride is sourced from PubChem (CID 120829926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).