N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide

C16H16Cl2N2O — CID 43549226

IUPACN-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
SMILESCC(c1cccc(N)c1)N(C)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-5-3-6-12(19)9-11)20(2)16(21)13-7-4-8-14(17)15(13)18/h3-10H,19H2,1-2H3
InChIKeyPJQIZRMUXQAFKG-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.41
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide

N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide (PubChem CID 43549226) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
PubChem CID43549226
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
SMILESCC(c1cccc(N)c1)N(C)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-5-3-6-12(19)9-11)20(2)16(21)13-7-4-8-14(17)15(13)18/h3-10H,19H2,1-2H3
InChIKeyPJQIZRMUXQAFKG-UHFFFAOYSA-N
XLogP4.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
CID 43549195
N-[1-(3-aminophenyl)ethyl]-2,4-dibromo-N-methylbenzamide
CID 107937424
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
CID 43551139
N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
CID 61278164
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide
CID 43549249
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide
CID 62944562
N-[1-(3-aminophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63024056
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573
N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide
CID 43549185

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide (CID 43549226) is N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide is CC(c1cccc(N)c1)N(C)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide?
The InChIKey is PJQIZRMUXQAFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(11-5-3-6-12(19)9-11)20(2)16(21)13-7-4-8-14(17)15(13)18/h3-10H,19H2,1-2H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide?
N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide is sourced from PubChem (CID 43549226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).