3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide

C16H16Cl2N2O — CID 61113833

IUPAC3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(C)C(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-6-4-3-5-7-11)20(2)16(21)12-8-13(17)15(18)14(19)9-12/h3-10H,19H2,1-2H3
InChIKeyDUKDRYUPWKUYFS-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.41
Rot. Bonds3

About 3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide

3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide (PubChem CID 61113833) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide
PubChem CID61113833
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(C)C(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-6-4-3-5-7-11)20(2)16(21)12-8-13(17)15(18)14(19)9-12/h3-10H,19H2,1-2H3
InChIKeyDUKDRYUPWKUYFS-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

4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 60939381
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
1-phenylethyl 3-amino-4,5-dichlorobenzoate
CID 61308316
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxy-N-methylbenzamide
CID 46419830
2-amino-5-methoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 61112703
3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60939530
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
methyl(1-phenylethyl)carbamic acid
CID 67062794
N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
CID 43549226

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide (CID 61113833) is 3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide is CC(c1ccccc1)N(C)C(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide?
The InChIKey is DUKDRYUPWKUYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(11-6-4-3-5-7-11)20(2)16(21)12-8-13(17)15(18)14(19)9-12/h3-10H,19H2,1-2H3.
What are the key properties of 3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide?
3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide 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 3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 61113833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).