4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide

C13H18Cl2N2O2 — CID 82833134

IUPAC4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1cc(Cl)c(N)c(Cl)c1)C(C)COC
InChIInChI=1S/C13H18Cl2N2O2/c1-4-17(8(2)7-19-3)13(18)9-5-10(14)12(16)11(15)6-9/h5-6,8H,4,7,16H2,1-3H3
InChIKeyRQTQYWFDUYRAIJ-UHFFFAOYSA-N
MW305.21 g/mol
LogP3.07
Rot. Bonds5

About 4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide

4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 82833134) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
PubChem CID82833134
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.21 g/mol
Exact Mass304.07
IUPAC Name4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1cc(Cl)c(N)c(Cl)c1)C(C)COC
InChIInChI=1S/C13H18Cl2N2O2/c1-4-17(8(2)7-19-3)13(18)9-5-10(14)12(16)11(15)6-9/h5-6,8H,4,7,16H2,1-3H3
InChIKeyRQTQYWFDUYRAIJ-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083
3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103841773
5-chloro-N-ethyl-6-(ethylamino)-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62180115
2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 61107492
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 55008658
1-methoxypropan-2-yl 4-amino-3,5-dichlorobenzoate
CID 82830079
3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 54942871
4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
CID 82787029
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,4-dimethylbenzamide
CID 102705204
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518
6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
CID 115283107
4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide
CID 82832777

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide (CID 82833134) is 4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide is CCN(C(=O)c1cc(Cl)c(N)c(Cl)c1)C(C)COC.
What is the InChIKey of 4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is RQTQYWFDUYRAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-4-17(8(2)7-19-3)13(18)9-5-10(14)12(16)11(15)6-9/h5-6,8H,4,7,16H2,1-3H3.
What are the key properties of 4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 305.21 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 82833134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).