N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide

C11H14ClFN2O — CID 107365757

IUPACN-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-2-14-4-3-11(16)15-10-6-8(12)5-9(13)7-10/h5-7,14H,2-4H2,1H3,(H,15,16)
InChIKeyDARMYBFGEXHDMX-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.42
Rot. Bonds5

About N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide

N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide (PubChem CID 107365757) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide
PubChem CID107365757
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC NameN-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-2-14-4-3-11(16)15-10-6-8(12)5-9(13)7-10/h5-7,14H,2-4H2,1H3,(H,15,16)
InChIKeyDARMYBFGEXHDMX-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
methyl 5-(3-chloro-5-fluoroanilino)-5-oxopentanoate
CID 86817129
N-(3,5-difluorophenyl)butanamide
CID 17271988
2-(ethylamino)-N-(3-fluoro-5-methylphenyl)acetamide
CID 79049951
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
2-chloro-5-[3-(ethylamino)propanoylamino]benzoic acid
CID 62834522
3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid
CID 107363764
2-[2-(3-chloro-5-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 107363768
3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide
CID 107365916
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide (CID 107365757) is N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide is CCNCCC(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide?
The InChIKey is DARMYBFGEXHDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-2-14-4-3-11(16)15-10-6-8(12)5-9(13)7-10/h5-7,14H,2-4H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide?
N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide has a molecular weight of 244.70 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide is sourced from PubChem (CID 107365757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).