N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide

C15H14ClFN2O2 — CID 29046897

IUPACN-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
SMILESNc1cc(NC(=O)CCOc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-13-6-3-11(9-14(13)18)19-15(20)7-8-21-12-4-1-10(17)2-5-12/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyNAMRSMNIVLGGRB-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.47
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide

N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide (PubChem CID 29046897) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
PubChem CID29046897
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
SMILESNc1cc(NC(=O)CCOc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-13-6-3-11(9-14(13)18)19-15(20)7-8-21-12-4-1-10(17)2-5-12/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyNAMRSMNIVLGGRB-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 16788443
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
CID 28531859
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(4-fluorophenoxy)-N-(4-propylphenyl)propanamide
CID 112816800
N-(3-amino-4-chlorophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866983
N-(3-amino-4-chlorophenyl)-2-(2-fluorophenoxy)acetamide
CID 16793498
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 43081016
N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66234466
N-(3-amino-4-chlorophenyl)-2-(3-bromo-5-fluorophenoxy)acetamide
CID 81313501
N-(2,3-dichlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 55581596
N-(2-aminophenyl)-3-(4-chloro-3-fluorophenoxy)propanamide
CID 82717901
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide (CID 29046897) is N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide is Nc1cc(NC(=O)CCOc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide?
The InChIKey is NAMRSMNIVLGGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-13-6-3-11(9-14(13)18)19-15(20)7-8-21-12-4-1-10(17)2-5-12/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide?
N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide has a molecular weight of 308.74 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 29046897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).