2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide

C17H18ClN3O3 — CID 9251378

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O3/c1-12-5-3-8-15(21(23)24)17(12)19-16(22)11-20(2)10-13-6-4-7-14(18)9-13/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyURQXYHHQSVIGHM-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.63
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide

2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide (PubChem CID 9251378) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
PubChem CID9251378
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O3/c1-12-5-3-8-15(21(23)24)17(12)19-16(22)11-20(2)10-13-6-4-7-14(18)9-13/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyURQXYHHQSVIGHM-UHFFFAOYSA-N
XLogP3.63
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.63
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

N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424
N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9123048
N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9250777
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8805437
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8709670
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 8961830
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-[benzyl(prop-2-enyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077907
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 8676685

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide (CID 9251378) is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide is Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide?
The InChIKey is URQXYHHQSVIGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-12-5-3-8-15(21(23)24)17(12)19-16(22)11-20(2)10-13-6-4-7-14(18)9-13/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide has a molecular weight of 347.80 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 9251378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).