3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide

C16H16Cl2N2O — CID 115930313

IUPAC3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-2-20(10-11-6-3-4-8-13(11)17)16(21)12-7-5-9-14(19)15(12)18/h3-9H,2,10,19H2,1H3
InChIKeyFGNRIXOKCARRDM-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.24
Rot. Bonds4

About 3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide

3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide (PubChem CID 115930313) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
PubChem CID115930313
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-2-20(10-11-6-3-4-8-13(11)17)16(21)12-7-5-9-14(19)15(12)18/h3-9H,2,10,19H2,1H3
InChIKeyFGNRIXOKCARRDM-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

3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
CID 112574718
N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
CID 43459183
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
CID 107074472
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 112817412
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 78853144
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide?
The IUPAC name of 3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide (CID 115930313) is 3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide?
The canonical SMILES for 3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide is CCN(Cc1ccccc1Cl)C(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide?
The InChIKey is FGNRIXOKCARRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-2-20(10-11-6-3-4-8-13(11)17)16(21)12-7-5-9-14(19)15(12)18/h3-9H,2,10,19H2,1H3.
What are the key properties of 3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide?
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-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 3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 115930313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).