N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide

C16H16FN3O2 — CID 82034350

IUPACN-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
SMILESNCCC(=O)Nc1ccccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C16H16FN3O2/c17-12-5-3-4-11(10-12)16(22)20-14-7-2-1-6-13(14)19-15(21)8-9-18/h1-7,10H,8-9,18H2,(H,19,21)(H,20,22)
InChIKeyHSBRIZVSZJTJOB-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide

N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide (PubChem CID 82034350) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
PubChem CID82034350
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
SMILESNCCC(=O)Nc1ccccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C16H16FN3O2/c17-12-5-3-4-11(10-12)16(22)20-14-7-2-1-6-13(14)19-15(21)8-9-18/h1-7,10H,8-9,18H2,(H,19,21)(H,20,22)
InChIKeyHSBRIZVSZJTJOB-UHFFFAOYSA-N
XLogP2.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
CID 108922965
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988
3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 1207911
3-fluoro-N-[2-[[2-[(3-fluorobenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 126273948
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 34231408
N-[2-[(2-aminoacetyl)amino]phenyl]-3-chlorobenzamide
CID 39184246
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide (CID 82034350) is N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide is NCCC(=O)Nc1ccccc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide?
The InChIKey is HSBRIZVSZJTJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-5-3-4-11(10-12)16(22)20-14-7-2-1-6-13(14)19-15(21)8-9-18/h1-7,10H,8-9,18H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide?
N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide has a molecular weight of 301.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 82034350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).