4-chloro-2-[2-(methylamino)ethoxy]benzamide

C10H13ClN2O2 — CID 63082636

IUPAC4-chloro-2-[2-(methylamino)ethoxy]benzamide
SMILESCNCCOc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C10H13ClN2O2/c1-13-4-5-15-9-6-7(11)2-3-8(9)10(12)14/h2-3,6,13H,4-5H2,1H3,(H2,12,14)
InChIKeyUPJXNTXKCCIOJZ-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.04
Rot. Bonds5

About 4-chloro-2-[2-(methylamino)ethoxy]benzamide

4-chloro-2-[2-(methylamino)ethoxy]benzamide (PubChem CID 63082636) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-2-[2-(methylamino)ethoxy]benzamide.

Molecular Properties

Compound Name4-chloro-2-[2-(methylamino)ethoxy]benzamide
PubChem CID63082636
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-chloro-2-[2-(methylamino)ethoxy]benzamide
SMILESCNCCOc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C10H13ClN2O2/c1-13-4-5-15-9-6-7(11)2-3-8(9)10(12)14/h2-3,6,13H,4-5H2,1H3,(H2,12,14)
InChIKeyUPJXNTXKCCIOJZ-UHFFFAOYSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide
CID 63083330
4-chloro-2-ethoxybenzamide
CID 126998915
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
4-chloro-2-methoxybenzamide
CID 19741766
5-fluoro-2-[2-(methylamino)ethoxy]benzamide
CID 63675006
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
methyl 4-(2-carbamothioyl-5-chlorophenoxy)butanoate
CID 114323041
2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide
CID 18198727
methyl 2-butoxy-4-chlorobenzoate
CID 78846722
4-chloro-2-(3-hydroxy-3-methylbutoxy)benzenecarbothioamide
CID 114323128
2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 141052915
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(methylamino)ethoxy]benzamide?
The IUPAC name of 4-chloro-2-[2-(methylamino)ethoxy]benzamide (CID 63082636) is 4-chloro-2-[2-(methylamino)ethoxy]benzamide.
What is the SMILES notation for 4-chloro-2-[2-(methylamino)ethoxy]benzamide?
The canonical SMILES for 4-chloro-2-[2-(methylamino)ethoxy]benzamide is CNCCOc1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 4-chloro-2-[2-(methylamino)ethoxy]benzamide?
The InChIKey is UPJXNTXKCCIOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-13-4-5-15-9-6-7(11)2-3-8(9)10(12)14/h2-3,6,13H,4-5H2,1H3,(H2,12,14).
What are the key properties of 4-chloro-2-[2-(methylamino)ethoxy]benzamide?
4-chloro-2-[2-(methylamino)ethoxy]benzamide has a molecular weight of 228.68 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(methylamino)ethoxy]benzamide is sourced from PubChem (CID 63082636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).