4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide

C16H16Cl2N2O — CID 82812598

IUPAC4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-2-20(10-11-6-4-3-5-7-11)16(21)12-8-13(17)15(19)14(18)9-12/h3-9H,2,10,19H2,1H3
InChIKeyPLXQOMBTDKYYPA-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.24
Rot. Bonds4

About 4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide

4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide (PubChem CID 82812598) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
PubChem CID82812598
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-2-20(10-11-6-4-3-5-7-11)16(21)12-8-13(17)15(19)14(18)9-12/h3-9H,2,10,19H2,1H3
InChIKeyPLXQOMBTDKYYPA-UHFFFAOYSA-N
XLogP4.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.24
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-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939220
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide
CID 10736703

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide?
The IUPAC name of 4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide (CID 82812598) is 4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide.
What is the SMILES notation for 4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide?
The canonical SMILES for 4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide is CCN(Cc1ccccc1)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide?
The InChIKey is PLXQOMBTDKYYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-2-20(10-11-6-4-3-5-7-11)16(21)12-8-13(17)15(19)14(18)9-12/h3-9H,2,10,19H2,1H3.
What are the key properties of 4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide?
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide is sourced from PubChem (CID 82812598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).