2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide

C13H19ClN2O2 — CID 61107492

IUPAC2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1N)C(C)COC
InChIInChI=1S/C13H19ClN2O2/c1-4-16(9(2)8-18-3)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,4,8,15H2,1-3H3
InChIKeyXWVLELJUMLAEMZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.42
Rot. Bonds5

About 2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide

2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 61107492) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
PubChem CID61107492
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1N)C(C)COC
InChIInChI=1S/C13H19ClN2O2/c1-4-16(9(2)8-18-3)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,4,8,15H2,1-3H3
InChIKeyXWVLELJUMLAEMZ-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.42
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

2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,4-dimethylbenzamide
CID 102705204
N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide
CID 107026683
4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 82833134
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103189268
2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide (CID 61107492) is 2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide is CCN(C(=O)c1ccc(Cl)cc1N)C(C)COC.
What is the InChIKey of 2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is XWVLELJUMLAEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-16(9(2)8-18-3)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,4,8,15H2,1-3H3.
What are the key properties of 2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 61107492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).