2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide

C12H17ClN2O3 — CID 106308339

IUPAC2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
SMILESNc1c(Cl)cccc1C(=O)NCCCOCCO
InChIInChI=1S/C12H17ClN2O3/c13-10-4-1-3-9(11(10)14)12(17)15-5-2-7-18-8-6-16/h1,3-4,16H,2,5-8,14H2,(H,15,17)
InChIKeyHHHDGSBRBOPENH-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.05
Rot. Bonds7

About 2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide

2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide (PubChem CID 106308339) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
PubChem CID106308339
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
SMILESNc1c(Cl)cccc1C(=O)NCCCOCCO
InChIInChI=1S/C12H17ClN2O3/c13-10-4-1-3-9(11(10)14)12(17)15-5-2-7-18-8-6-16/h1,3-4,16H,2,5-8,14H2,(H,15,17)
InChIKeyHHHDGSBRBOPENH-UHFFFAOYSA-N
XLogP1.05
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.05
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

2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
2-amino-3-chloro-N-propylbenzamide
CID 80503191
N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113331750
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
CID 115540134
2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 115540069

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide (CID 106308339) is 2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide is Nc1c(Cl)cccc1C(=O)NCCCOCCO.
What is the InChIKey of 2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The InChIKey is HHHDGSBRBOPENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c13-10-4-1-3-9(11(10)14)12(17)15-5-2-7-18-8-6-16/h1,3-4,16H,2,5-8,14H2,(H,15,17).
What are the key properties of 2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide?
2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide has a molecular weight of 272.73 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide is sourced from PubChem (CID 106308339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).