4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide

C12H17ClN2O2 — CID 63083330

IUPAC4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide
SMILESCC(C)NCCOc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-8(2)15-5-6-17-11-7-9(13)3-4-10(11)12(14)16/h3-4,7-8,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyMYZYMMXSKCEECF-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.82
Rot. Bonds6

About 4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide

4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 63083330) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

Compound Name4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide
PubChem CID63083330
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide
SMILESCC(C)NCCOc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-8(2)15-5-6-17-11-7-9(13)3-4-10(11)12(14)16/h3-4,7-8,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyMYZYMMXSKCEECF-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.82
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-(methylamino)ethoxy]benzamide
CID 63082636
4-chloro-2-ethoxybenzamide
CID 126998915
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
4-chloro-2-methoxybenzamide
CID 19741766
6-methyl-2-[2-(propan-2-ylamino)ethoxy]pyridine-3-carboxamide
CID 62348157
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
methyl 4-(2-carbamothioyl-5-chlorophenoxy)butanoate
CID 114323041
N-[2-(4-chloro-2-cyclohexylphenoxy)ethyl]propan-2-amine
CID 63517195
2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide
CID 18198727
3-(4-chloro-2-prop-2-enylphenoxy)-N-propan-2-ylpropan-1-amine;oxalic acid
CID 2922806
4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide
CID 76583533
methyl 2-butoxy-4-chlorobenzoate
CID 78846722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide?
The IUPAC name of 4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide (CID 63083330) is 4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide.
What is the SMILES notation for 4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide?
The canonical SMILES for 4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide is CC(C)NCCOc1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide?
The InChIKey is MYZYMMXSKCEECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(2)15-5-6-17-11-7-9(13)3-4-10(11)12(14)16/h3-4,7-8,15H,5-6H2,1-2H3,(H2,14,16).
What are the key properties of 4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide?
4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 256.73 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 63083330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).