N-(2-amino-5-chlorophenyl)-3-propoxypropanamide

C12H17ClN2O2 — CID 43247865

IUPACN-(2-amino-5-chlorophenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-2-6-17-7-5-12(16)15-11-8-9(13)3-4-10(11)14/h3-4,8H,2,5-7,14H2,1H3,(H,15,16)
InChIKeyLCFJPMCGJLARQM-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.68
Rot. Bonds6

About N-(2-amino-5-chlorophenyl)-3-propoxypropanamide

N-(2-amino-5-chlorophenyl)-3-propoxypropanamide (PubChem CID 43247865) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-propoxypropanamide
PubChem CID43247865
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(2-amino-5-chlorophenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-2-6-17-7-5-12(16)15-11-8-9(13)3-4-10(11)14/h3-4,8H,2,5-7,14H2,1H3,(H,15,16)
InChIKeyLCFJPMCGJLARQM-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-3-propoxypropanamide
CID 77050416
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-5-chlorophenyl)-3-butylsulfonylpropanamide
CID 43615882
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753533
N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450431

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-propoxypropanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-propoxypropanamide (CID 43247865) is N-(2-amino-5-chlorophenyl)-3-propoxypropanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-propoxypropanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-propoxypropanamide is CCCOCCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-propoxypropanamide?
The InChIKey is LCFJPMCGJLARQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-6-17-7-5-12(16)15-11-8-9(13)3-4-10(11)14/h3-4,8H,2,5-7,14H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-propoxypropanamide?
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide has a molecular weight of 256.73 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-propoxypropanamide is sourced from PubChem (CID 43247865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).