N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide

C11H14ClN3O3 — CID 79195599

IUPACN-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14ClN3O3/c1-7(6-13-2)11(16)14-8-3-4-9(12)10(5-8)15(17)18/h3-5,7,13H,6H2,1-2H3,(H,14,16)
InChIKeyHFVACZHOTSVREH-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.04
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide

N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 79195599) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID79195599
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14ClN3O3/c1-7(6-13-2)11(16)14-8-3-4-9(12)10(5-8)15(17)18/h3-5,7,13H,6H2,1-2H3,(H,14,16)
InChIKeyHFVACZHOTSVREH-UHFFFAOYSA-N
XLogP2.04
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.04
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-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196522
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196264
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide
CID 5206007
1-(4-chloro-3-nitrophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473100
(2S)-2-methyl-N-[4-[[(2R)-2-methylbutanoyl]amino]-3-nitrophenyl]butanamide
CID 7233020
N-(3-bromo-4-nitrophenyl)-3-chloro-2-methylpropanamide
CID 82864604

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide (CID 79195599) is N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is HFVACZHOTSVREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-7(6-13-2)11(16)14-8-3-4-9(12)10(5-8)15(17)18/h3-5,7,13H,6H2,1-2H3,(H,14,16).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 271.70 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79195599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).