N-(2-fluorophenyl)-N-propan-2-ylbenzamide

C16H16FNO — CID 141030490

IUPACN-(2-fluorophenyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H16FNO/c1-12(2)18(15-11-7-6-10-14(15)17)16(19)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyDKQNRJKRBMRKKS-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.88
Rot. Bonds3

About N-(2-fluorophenyl)-N-propan-2-ylbenzamide

N-(2-fluorophenyl)-N-propan-2-ylbenzamide (PubChem CID 141030490) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-propan-2-ylbenzamide
PubChem CID141030490
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-(2-fluorophenyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H16FNO/c1-12(2)18(15-11-7-6-10-14(15)17)16(19)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyDKQNRJKRBMRKKS-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(2-fluorophenyl)methyl]-N-methylbenzamide
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3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-fluorophenyl)-N-propan-2-ylbenzamide (CID 141030490) is N-(2-fluorophenyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-fluorophenyl)-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1ccccc1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-propan-2-ylbenzamide?
The InChIKey is DKQNRJKRBMRKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12(2)18(15-11-7-6-10-14(15)17)16(19)13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N-propan-2-ylbenzamide?
N-(2-fluorophenyl)-N-propan-2-ylbenzamide has a molecular weight of 257.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 141030490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).