N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide

C15H15ClN2O3 — CID 63121177

IUPACN-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
SMILESNCCOc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O3/c16-13-8-10(4-5-14(13)19)15(20)18-11-2-1-3-12(9-11)21-7-6-17/h1-5,8-9,19H,6-7,17H2,(H,18,20)
InChIKeyWGXCMRMRAYWHJN-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.64
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide

N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide (PubChem CID 63121177) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
PubChem CID63121177
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
SMILESNCCOc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O3/c16-13-8-10(4-5-14(13)19)15(20)18-11-2-1-3-12(9-11)21-7-6-17/h1-5,8-9,19H,6-7,17H2,(H,18,20)
InChIKeyWGXCMRMRAYWHJN-UHFFFAOYSA-N
XLogP2.64
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
CID 63121269
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide
CID 104668880
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
N-(3-acetylphenyl)-3-chloro-4-hydroxybenzamide
CID 24710986
N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide
CID 103806449
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17133560
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide (CID 63121177) is N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide is NCCOc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide?
The InChIKey is WGXCMRMRAYWHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-13-8-10(4-5-14(13)19)15(20)18-11-2-1-3-12(9-11)21-7-6-17/h1-5,8-9,19H,6-7,17H2,(H,18,20).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide?
N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide has a molecular weight of 306.75 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 63121177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).