3-amino-2-chloro-N-(3-ethoxypropyl)benzamide

C12H17ClN2O2 — CID 112574223

IUPAC3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-17-8-4-7-15-12(16)9-5-3-6-10(14)11(9)13/h3,5-6H,2,4,7-8,14H2,1H3,(H,15,16)
InChIKeyJBCORPGRZKIVCF-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.08
Rot. Bonds6

About 3-amino-2-chloro-N-(3-ethoxypropyl)benzamide

3-amino-2-chloro-N-(3-ethoxypropyl)benzamide (PubChem CID 112574223) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
PubChem CID112574223
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-17-8-4-7-15-12(16)9-5-3-6-10(14)11(9)13/h3,5-6H,2,4,7-8,14H2,1H3,(H,15,16)
InChIKeyJBCORPGRZKIVCF-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-ethoxypropyl)-2-nitrobenzamide
CID 115548367
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
3-amino-2-chloro-N-pent-4-ynylbenzamide
CID 106219785
2-amino-N-(3-ethoxypropyl)-3-nitrobenzamide
CID 112696624
3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 112575924
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391815
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242
3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 112574891
3-amino-2-(3-ethoxypropylamino)benzoic acid
CID 112577884
N-(3-ethoxypropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62243078
3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 115930557
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(3-ethoxypropyl)benzamide (CID 112574223) is 3-amino-2-chloro-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(3-ethoxypropyl)benzamide?
The InChIKey is JBCORPGRZKIVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-17-8-4-7-15-12(16)9-5-3-6-10(14)11(9)13/h3,5-6H,2,4,7-8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-chloro-N-(3-ethoxypropyl)benzamide?
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide has a molecular weight of 256.73 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 112574223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).