3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide

C15H15ClN2O2 — CID 118138252

IUPAC3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Oc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O2/c1-18(2)15(19)10-4-3-5-11(8-10)20-12-6-7-14(17)13(16)9-12/h3-9H,17H2,1-2H3
InChIKeyKXTTVIIVGPAYIK-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.42
Rot. Bonds3

About 3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide

3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide (PubChem CID 118138252) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide
PubChem CID118138252
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Oc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O2/c1-18(2)15(19)10-4-3-5-11(8-10)20-12-6-7-14(17)13(16)9-12/h3-9H,17H2,1-2H3
InChIKeyKXTTVIIVGPAYIK-UHFFFAOYSA-N
XLogP3.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide
CID 62113277
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide
CID 82993412
4-amino-3-chloro-N-hydroxy-N-methylbenzamide
CID 131124028
4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide
CID 57327360
N,N-dimethyl-4-(3-sulfamoylphenoxy)benzamide
CID 174161288
3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide
CID 23441684
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene
CID 154880190
2-chloro-4-naphthalen-2-yloxyaniline
CID 175197159

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide?
The IUPAC name of 3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide (CID 118138252) is 3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Oc2ccc(N)c(Cl)c2)c1.
What is the InChIKey of 3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide?
The InChIKey is KXTTVIIVGPAYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-18(2)15(19)10-4-3-5-11(8-10)20-12-6-7-14(17)13(16)9-12/h3-9H,17H2,1-2H3.
What are the key properties of 3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide?
3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide has a molecular weight of 290.75 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 118138252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).