2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide

C17H17Cl2N3O3 — CID 55351839

IUPAC2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2N3O3/c1-11(21(2)10-12-4-3-5-15(18)16(12)19)17(23)20-13-6-8-14(9-7-13)22(24)25/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyRSTDZKKBVDQUOH-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.36
Rot. Bonds6

About 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide

2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide (PubChem CID 55351839) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide
PubChem CID55351839
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2N3O3/c1-11(21(2)10-12-4-3-5-15(18)16(12)19)17(23)20-13-6-8-14(9-7-13)22(24)25/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyRSTDZKKBVDQUOH-UHFFFAOYSA-N
XLogP4.36
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
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

(2R)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-N-(4-nitrophenyl)propanamide
CID 40795616
2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide
CID 51171787
2-(2,3-dichlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 42990455
4-[[(2S)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 27222135
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanylacetamide
CID 26731366
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55361761
N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 42911455
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24506904
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 46697394
(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 40761168
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide (CID 55351839) is 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide is CC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide?
The InChIKey is RSTDZKKBVDQUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-11(21(2)10-12-4-3-5-15(18)16(12)19)17(23)20-13-6-8-14(9-7-13)22(24)25/h3-9,11H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide?
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide has a molecular weight of 382.25 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 55351839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).