2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide

C15H16ClN3O2 — CID 62497017

IUPAC2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1NCCOc1ccccc1N
InChIInChI=1S/C15H16ClN3O2/c16-10-4-3-6-12(14(10)15(18)20)19-8-9-21-13-7-2-1-5-11(13)17/h1-7,19H,8-9,17H2,(H2,18,20)
InChIKeyCSAQZXQSCZFKLD-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.51
Rot. Bonds6

About 2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide

2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide (PubChem CID 62497017) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide
PubChem CID62497017
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1NCCOc1ccccc1N
InChIInChI=1S/C15H16ClN3O2/c16-10-4-3-6-12(14(10)15(18)20)19-8-9-21-13-7-2-1-5-11(13)17/h1-7,19H,8-9,17H2,(H2,18,20)
InChIKeyCSAQZXQSCZFKLD-UHFFFAOYSA-N
XLogP2.51
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-(2-carbamoyl-3-chloroanilino)propanoic acid
CID 62501578
2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide
CID 63673977
2-[2-(2-chloroanilino)ethoxy]benzoic acid
CID 103234531
2-(2-carbamothioyl-3-chloroanilino)ethyl carbamate
CID 83204135
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide
CID 81089935
N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802475
2-(2-aminophenoxy)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103477091
2-chloro-6-(methylamino)benzamide
CID 58906344
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
2-[2-(2-aminophenoxy)ethylamino]-6-bromobenzonitrile
CID 114887508

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide?
The IUPAC name of 2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide (CID 62497017) is 2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide.
What is the SMILES notation for 2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide?
The canonical SMILES for 2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide is NC(=O)c1c(Cl)cccc1NCCOc1ccccc1N.
What is the InChIKey of 2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide?
The InChIKey is CSAQZXQSCZFKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-10-4-3-6-12(14(10)15(18)20)19-8-9-21-13-7-2-1-5-11(13)17/h1-7,19H,8-9,17H2,(H2,18,20).
What are the key properties of 2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide?
2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide has a molecular weight of 305.76 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide is sourced from PubChem (CID 62497017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).