2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide

C14H22ClN3O — CID 103187354

IUPAC2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
SMILESCCN(C(=O)c1c(N)cccc1Cl)C(C)CN(C)C
InChIInChI=1S/C14H22ClN3O/c1-5-18(10(2)9-17(3)4)14(19)13-11(15)7-6-8-12(13)16/h6-8,10H,5,9,16H2,1-4H3
InChIKeyIIQZXSPUXLXIBD-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide

2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide (PubChem CID 103187354) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
PubChem CID103187354
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
SMILESCCN(C(=O)c1c(N)cccc1Cl)C(C)CN(C)C
InChIInChI=1S/C14H22ClN3O/c1-5-18(10(2)9-17(3)4)14(19)13-11(15)7-6-8-12(13)16/h6-8,10H,5,9,16H2,1-4H3
InChIKeyIIQZXSPUXLXIBD-UHFFFAOYSA-N
XLogP2.33
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.33
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-N,N-diethylbenzamide
CID 10104045
(2-Amino-6-chloro-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone
CID 456323
(2-Amino-6-chloro-phenyl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
CID 461327
4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
CID 558758
2-amino-6-chloro-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide
CID 57557392
2-amino-6-chloro-N-[[1-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide;hydrochloride
CID 117897992
2-amino-N-{3-[4-(3-chlorophenyl)-1-piperazinyl]propyl}benzamide
CID 16210755
Benzamide, 2-amino-5-chloro-N-methyl-
CID 209072
2-Amino-6-chlorobenzamide
CID 13675968
(2-Aminophenyl)(4-methylpiperazin-1-yl)methanone
CID 550840
2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2452785
N-[2-(1-azepanylcarbonyl)phenyl]-2-chlorobenzamide
CID 2985638

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide?
The IUPAC name of 2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide (CID 103187354) is 2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide?
The canonical SMILES for 2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide is CCN(C(=O)c1c(N)cccc1Cl)C(C)CN(C)C.
What is the InChIKey of 2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide?
The InChIKey is IIQZXSPUXLXIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-5-18(10(2)9-17(3)4)14(19)13-11(15)7-6-8-12(13)16/h6-8,10H,5,9,16H2,1-4H3.
What are the key properties of 2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide?
2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide is sourced from PubChem (CID 103187354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).