N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide

C15H14Cl2N2O2 — CID 63121176

IUPACN-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
SMILESNCCOc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-10-4-5-14(17)13(8-10)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyWSQPCZRAKMPEFK-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.58
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide

N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide (PubChem CID 63121176) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
PubChem CID63121176
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
SMILESNCCOc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-10-4-5-14(17)13(8-10)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyWSQPCZRAKMPEFK-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide
CID 103806449
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
CID 63121177
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539
N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide
CID 103806452
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
CID 63121269
N-[3-(2-aminoethoxy)phenyl]-3-methoxypyridine-4-carboxamide
CID 105062895
2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079524
4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide
CID 63120956
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide (CID 63121176) is N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide is NCCOc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide?
The InChIKey is WSQPCZRAKMPEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-10-4-5-14(17)13(8-10)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide?
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide has a molecular weight of 325.20 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide is sourced from PubChem (CID 63121176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).