2-fluoro-4-propylbenzamide

C10H12FNO — CID 175786906

IUPAC2-fluoro-4-propylbenzamide
SMILESCCCc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C10H12FNO/c1-2-3-7-4-5-8(10(12)13)9(11)6-7/h4-6H,2-3H2,1H3,(H2,12,13)
InChIKeyPTUACSNUSHGLCM-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.88
Rot. Bonds3

About 2-fluoro-4-propylbenzamide

2-fluoro-4-propylbenzamide (PubChem CID 175786906) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-fluoro-4-propylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-propylbenzamide
PubChem CID175786906
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-fluoro-4-propylbenzamide
SMILESCCCc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C10H12FNO/c1-2-3-7-4-5-8(10(12)13)9(11)6-7/h4-6H,2-3H2,1H3,(H2,12,13)
InChIKeyPTUACSNUSHGLCM-UHFFFAOYSA-N
XLogP1.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4-propylphenyl)prop-2-en-1-one
CID 19101325
3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide
CID 163632738
3-chloro-1-(2-fluoro-4-propylphenyl)propan-1-one
CID 19859591
2-fluoro-4-nonylbenzoic acid
CID 57292315
1,2-difluoro-4-propylbenzene;methane
CID 160697343
1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene
CID 139790762
3-bromo-2-fluoro-5-propylbenzamide
CID 58540669
2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide
CID 167564412
2,4-difluorobenzamide;dihydrochloride
CID 22032026
2-fluoro-N,N-dimethyl-4-propylaniline
CID 89112656
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
4-[(3S)-4-amino-3-(dimethylamino)-2-methylbutyl]-2-fluorobenzamide
CID 165405492

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propylbenzamide?
The IUPAC name of 2-fluoro-4-propylbenzamide (CID 175786906) is 2-fluoro-4-propylbenzamide.
What is the SMILES notation for 2-fluoro-4-propylbenzamide?
The canonical SMILES for 2-fluoro-4-propylbenzamide is CCCc1ccc(C(N)=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-propylbenzamide?
The InChIKey is PTUACSNUSHGLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-3-7-4-5-8(10(12)13)9(11)6-7/h4-6H,2-3H2,1H3,(H2,12,13).
What are the key properties of 2-fluoro-4-propylbenzamide?
2-fluoro-4-propylbenzamide has a molecular weight of 181.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propylbenzamide is sourced from PubChem (CID 175786906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).