4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide

C15H16ClN3O2 — CID 63120956

IUPAC4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide
SMILESNCCOc1cccc(Nc2ccc(C(N)=O)c(Cl)c2)c1
InChIInChI=1S/C15H16ClN3O2/c16-14-9-11(4-5-13(14)15(18)20)19-10-2-1-3-12(8-10)21-7-6-17/h1-5,8-9,19H,6-7,17H2,(H2,18,20)
InChIKeyBOWLJFSVSYPAAM-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.52
Rot. Bonds6

About 4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide

4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide (PubChem CID 63120956) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide.

Molecular Properties

Compound Name4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide
PubChem CID63120956
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide
SMILESNCCOc1cccc(Nc2ccc(C(N)=O)c(Cl)c2)c1
InChIInChI=1S/C15H16ClN3O2/c16-14-9-11(4-5-13(14)15(18)20)19-10-2-1-3-12(8-10)21-7-6-17/h1-5,8-9,19H,6-7,17H2,(H2,18,20)
InChIKeyBOWLJFSVSYPAAM-UHFFFAOYSA-N
XLogP2.52
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
2-chloro-4-[2-(3-cyanophenoxy)ethylamino]benzamide
CID 71998009
N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide
CID 103806449
2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874084
methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate
CID 63121112
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide
CID 47027239
N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
CID 63121177
2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
CID 63120963
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169954

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide?
The IUPAC name of 4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide (CID 63120956) is 4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide.
What is the SMILES notation for 4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide?
The canonical SMILES for 4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide is NCCOc1cccc(Nc2ccc(C(N)=O)c(Cl)c2)c1.
What is the InChIKey of 4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide?
The InChIKey is BOWLJFSVSYPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-14-9-11(4-5-13(14)15(18)20)19-10-2-1-3-12(8-10)21-7-6-17/h1-5,8-9,19H,6-7,17H2,(H2,18,20).
What are the key properties of 4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide?
4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide has a molecular weight of 305.77 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide is sourced from PubChem (CID 63120956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).