N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide

C17H19ClN2O — CID 39426671

IUPACN-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
SMILESNc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c18-15-7-3-14(4-8-15)12-17(21)20-11-1-2-13-5-9-16(19)10-6-13/h3-10H,1-2,11-12,19H2,(H,20,21)
InChIKeyFFVNYMYYXGDEES-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.21
Rot. Bonds6

About N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide

N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide (PubChem CID 39426671) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
PubChem CID39426671
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
SMILESNc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c18-15-7-3-14(4-8-15)12-17(21)20-11-1-2-13-5-9-16(19)10-6-13/h3-10H,1-2,11-12,19H2,(H,20,21)
InChIKeyFFVNYMYYXGDEES-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride
CID 119778289
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-[3-(4-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999193
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide (CID 39426671) is N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide is Nc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is FFVNYMYYXGDEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-7-3-14(4-8-15)12-17(21)20-11-1-2-13-5-9-16(19)10-6-13/h3-10H,1-2,11-12,19H2,(H,20,21).
What are the key properties of N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide?
N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 39426671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).