4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide

C16H18ClN3O — CID 102668628

IUPAC4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1Cl)c1ccccc1N
InChIInChI=1S/C16H18ClN3O/c1-2-20(15-6-4-3-5-14(15)18)10-12-8-7-11(16(19)21)9-13(12)17/h3-9H,2,10,18H2,1H3,(H2,19,21)
InChIKeyUVBXRKIKPPPZLF-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.05
Rot. Bonds5

About 4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide

4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide (PubChem CID 102668628) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide
PubChem CID102668628
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1Cl)c1ccccc1N
InChIInChI=1S/C16H18ClN3O/c1-2-20(15-6-4-3-5-14(15)18)10-12-8-7-11(16(19)21)9-13(12)17/h3-9H,2,10,18H2,1H3,(H2,19,21)
InChIKeyUVBXRKIKPPPZLF-UHFFFAOYSA-N
XLogP3.05
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[(N-ethylanilino)methyl]benzoic acid
CID 102669786
3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 102669675
2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 63533670
3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide
CID 102669681
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
3-amino-4-(diethylaminomethyl)benzamide
CID 43375439
3-amino-4-ethylbenzamide
CID 19977641
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzamide
CID 43458579
4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
CID 102663198
4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide
CID 60869436
4-[(2-chlorophenyl)methyl]-3-ethylbenzamide
CID 174688363

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide?
The IUPAC name of 4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide (CID 102668628) is 4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide is CCN(Cc1ccc(C(N)=O)cc1Cl)c1ccccc1N.
What is the InChIKey of 4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide?
The InChIKey is UVBXRKIKPPPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-20(15-6-4-3-5-14(15)18)10-12-8-7-11(16(19)21)9-13(12)17/h3-9H,2,10,18H2,1H3,(H2,19,21).
What are the key properties of 4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide?
4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide is sourced from PubChem (CID 102668628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).