3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide

C15H16ClN3O — CID 115930633

IUPAC3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1cccc(NC(=O)c2cccc(N)c2Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-19(2)11-6-3-5-10(9-11)18-15(20)12-7-4-8-13(17)14(12)16/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyXFVSGTURRSJDFS-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.24
Rot. Bonds3

About 3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide

3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide (PubChem CID 115930633) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
PubChem CID115930633
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1cccc(NC(=O)c2cccc(N)c2Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-19(2)11-6-3-5-10(9-11)18-15(20)12-7-4-8-13(17)14(12)16/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyXFVSGTURRSJDFS-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115375733
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
CID 107033296
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide
CID 115379438
3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 115930102
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide (CID 115930633) is 3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide is CN(C)c1cccc(NC(=O)c2cccc(N)c2Cl)c1.
What is the InChIKey of 3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide?
The InChIKey is XFVSGTURRSJDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(2)11-6-3-5-10(9-11)18-15(20)12-7-4-8-13(17)14(12)16/h3-9H,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide?
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide has a molecular weight of 289.77 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 115930633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).