5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide

C18H21ClN2O2 — CID 120624386

IUPAC5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)CCCOc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-13-7-8-15(20)12-17(13)18(22)21(2)9-4-10-23-16-6-3-5-14(19)11-16/h3,5-8,11-12H,4,9-10,20H2,1-2H3
InChIKeyNSGGJOQCVUJAAO-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.77
Rot. Bonds6

About 5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide

5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide (PubChem CID 120624386) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
PubChem CID120624386
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)CCCOc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-13-7-8-15(20)12-17(13)18(22)21(2)9-4-10-23-16-6-3-5-14(19)11-16/h3,5-8,11-12H,4,9-10,20H2,1-2H3
InChIKeyNSGGJOQCVUJAAO-UHFFFAOYSA-N
XLogP3.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride
CID 120626191
N-[3-(3-chlorophenoxy)propyl]-N,4-dimethyl-3-nitrobenzamide
CID 55898199
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[3-(3-chlorophenoxy)propyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 55956047
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035433
4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide
CID 56549046
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
CID 28516547
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55897423
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide?
The IUPAC name of 5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide (CID 120624386) is 5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide is Cc1ccc(N)cc1C(=O)N(C)CCCOc1cccc(Cl)c1.
What is the InChIKey of 5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide?
The InChIKey is NSGGJOQCVUJAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13-7-8-15(20)12-17(13)18(22)21(2)9-4-10-23-16-6-3-5-14(19)11-16/h3,5-8,11-12H,4,9-10,20H2,1-2H3.
What are the key properties of 5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide?
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide has a molecular weight of 332.83 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 120624386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).