2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide

C16H16ClFN2O — CID 81499811

IUPAC2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
SMILESCCC(NC(=O)c1cccc(F)c1N)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-2-14(10-6-8-11(17)9-7-10)20-16(21)12-4-3-5-13(18)15(12)19/h3-9,14H,2,19H2,1H3,(H,20,21)
InChIKeyXPXNJLYPDFQVLA-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.94
Rot. Bonds4

About 2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide

2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide (PubChem CID 81499811) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
PubChem CID81499811
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
SMILESCCC(NC(=O)c1cccc(F)c1N)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-2-14(10-6-8-11(17)9-7-10)20-16(21)12-4-3-5-13(18)15(12)19/h3-9,14H,2,19H2,1H3,(H,20,21)
InChIKeyXPXNJLYPDFQVLA-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
CID 107951914
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
CID 63110061
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide (CID 81499811) is 2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide is CCC(NC(=O)c1cccc(F)c1N)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide?
The InChIKey is XPXNJLYPDFQVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-2-14(10-6-8-11(17)9-7-10)20-16(21)12-4-3-5-13(18)15(12)19/h3-9,14H,2,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide?
2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide has a molecular weight of 306.77 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide is sourced from PubChem (CID 81499811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).