4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide

C16H16ClFN2O — CID 115994237

IUPAC4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide
SMILESCCC(Nc1cc(C(N)=O)ccc1Cl)c1ccccc1F
InChIInChI=1S/C16H16ClFN2O/c1-2-14(11-5-3-4-6-13(11)18)20-15-9-10(16(19)21)7-8-12(15)17/h3-9,14,20H,2H2,1H3,(H2,19,21)
InChIKeyONANLRFGIUIRKC-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.14
Rot. Bonds5

About 4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide

4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide (PubChem CID 115994237) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide
PubChem CID115994237
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide
SMILESCCC(Nc1cc(C(N)=O)ccc1Cl)c1ccccc1F
InChIInChI=1S/C16H16ClFN2O/c1-2-14(11-5-3-4-6-13(11)18)20-15-9-10(16(19)21)7-8-12(15)17/h3-9,14,20H,2H2,1H3,(H2,19,21)
InChIKeyONANLRFGIUIRKC-UHFFFAOYSA-N
XLogP4.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
2-bromo-5-chloro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 104722764
2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile
CID 115994254
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
CID 106953694
4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
CID 62536792
4-chloro-N-[1-(2-fluorophenyl)propyl]-3-methoxyaniline
CID 107621034
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide?
The IUPAC name of 4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide (CID 115994237) is 4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide?
The canonical SMILES for 4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide is CCC(Nc1cc(C(N)=O)ccc1Cl)c1ccccc1F.
What is the InChIKey of 4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide?
The InChIKey is ONANLRFGIUIRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-2-14(11-5-3-4-6-13(11)18)20-15-9-10(16(19)21)7-8-12(15)17/h3-9,14,20H,2H2,1H3,(H2,19,21).
What are the key properties of 4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide?
4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide has a molecular weight of 306.77 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide is sourced from PubChem (CID 115994237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).