2-amino-4-chloro-N,N-diethylbenzamide

C11H15ClN2O — CID 16773722

IUPAC2-amino-4-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)9-6-5-8(12)7-10(9)13/h5-7H,3-4,13H2,1-2H3
InChIKeyUOWXMPFGGZIDTH-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-4-chloro-N,N-diethylbenzamide

2-amino-4-chloro-N,N-diethylbenzamide (PubChem CID 16773722) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-amino-4-chloro-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N,N-diethylbenzamide
PubChem CID16773722
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-amino-4-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)9-6-5-8(12)7-10(9)13/h5-7H,3-4,13H2,1-2H3
InChIKeyUOWXMPFGGZIDTH-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 61107492
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
CID 43459183
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
ethoxymethyl 2-amino-4-chlorobenzoate
CID 65369666
2-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62636223

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N,N-diethylbenzamide?
The IUPAC name of 2-amino-4-chloro-N,N-diethylbenzamide (CID 16773722) is 2-amino-4-chloro-N,N-diethylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N,N-diethylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N,N-diethylbenzamide?
The InChIKey is UOWXMPFGGZIDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)9-6-5-8(12)7-10(9)13/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N,N-diethylbenzamide?
2-amino-4-chloro-N,N-diethylbenzamide has a molecular weight of 226.71 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N,N-diethylbenzamide is sourced from PubChem (CID 16773722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).