N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide

C16H16Cl2N2O — CID 43459183

IUPACN-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
SMILESCCN(Cc1ccccc1N)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-2-20(10-11-5-3-4-6-15(11)19)16(21)13-8-7-12(17)9-14(13)18/h3-9H,2,10,19H2,1H3
InChIKeyGAVKJKDDLYTPCZ-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.24
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide

N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide (PubChem CID 43459183) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
PubChem CID43459183
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
SMILESCCN(Cc1ccccc1N)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-2-20(10-11-5-3-4-6-15(11)19)16(21)13-8-7-12(17)9-14(13)18/h3-9H,2,10,19H2,1H3
InChIKeyGAVKJKDDLYTPCZ-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-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 43459243
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369
2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
CID 63083482
N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide
CID 79803210
N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107986287
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
2-[(2-aminophenyl)methyl-methylamino]-5-chlorobenzamide
CID 62494381
2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide (CID 43459183) is N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide is CCN(Cc1ccccc1N)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide?
The InChIKey is GAVKJKDDLYTPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-2-20(10-11-5-3-4-6-15(11)19)16(21)13-8-7-12(17)9-14(13)18/h3-9H,2,10,19H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide?
N-[(2-aminophenyl)methyl]-2,4-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 N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide is sourced from PubChem (CID 43459183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).