2-amino-3-chloro-4-propan-2-yloxybenzamide

C10H13ClN2O2 — CID 67278409

IUPAC2-amino-3-chloro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)c(N)c1Cl
InChIInChI=1S/C10H13ClN2O2/c1-5(2)15-7-4-3-6(10(13)14)9(12)8(7)11/h3-5H,12H2,1-2H3,(H2,13,14)
InChIKeyPIGKIFIASMUBOE-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-3-chloro-4-propan-2-yloxybenzamide

2-amino-3-chloro-4-propan-2-yloxybenzamide (PubChem CID 67278409) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-amino-3-chloro-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-4-propan-2-yloxybenzamide
PubChem CID67278409
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-amino-3-chloro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)c(N)c1Cl
InChIInChI=1S/C10H13ClN2O2/c1-5(2)15-7-4-3-6(10(13)14)9(12)8(7)11/h3-5H,12H2,1-2H3,(H2,13,14)
InChIKeyPIGKIFIASMUBOE-UHFFFAOYSA-N
XLogP1.81
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-propan-2-yloxybenzamide
CID 53495725
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
methyl 2-chloro-3-methyl-4-propan-2-yloxybenzoate
CID 164895514
2-chloro-3-propan-2-yloxyaniline
CID 67383327
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
3-cyano-2-(2-hydroxyethyl)-4-propan-2-yloxybenzamide
CID 142790563
ethyl 4-chloro-2-propan-2-yloxybenzoate
CID 164894970
propan-2-yl 2-amino-3-chloro-4-(difluoromethyl)benzoate
CID 104721946
5-fluoro-4-methyl-2-propan-2-yloxybenzamide
CID 59113922
2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide
CID 74232262

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-4-propan-2-yloxybenzamide?
The IUPAC name of 2-amino-3-chloro-4-propan-2-yloxybenzamide (CID 67278409) is 2-amino-3-chloro-4-propan-2-yloxybenzamide.
What is the SMILES notation for 2-amino-3-chloro-4-propan-2-yloxybenzamide?
The canonical SMILES for 2-amino-3-chloro-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(N)=O)c(N)c1Cl.
What is the InChIKey of 2-amino-3-chloro-4-propan-2-yloxybenzamide?
The InChIKey is PIGKIFIASMUBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-5(2)15-7-4-3-6(10(13)14)9(12)8(7)11/h3-5H,12H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-3-chloro-4-propan-2-yloxybenzamide?
2-amino-3-chloro-4-propan-2-yloxybenzamide has a molecular weight of 228.68 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 67278409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).