N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide

C17H17FN2O2 — CID 130328320

IUPACN-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide
SMILESCc1cccc(N(CCC(N)=O)C(=O)c2ccccc2)c1F
InChIInChI=1S/C17H17FN2O2/c1-12-6-5-9-14(16(12)18)20(11-10-15(19)21)17(22)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H2,19,21)
InChIKeyWNBPBACPQBQZCI-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.66
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide

N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide (PubChem CID 130328320) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide
PubChem CID130328320
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide
SMILESCc1cccc(N(CCC(N)=O)C(=O)c2ccccc2)c1F
InChIInChI=1S/C17H17FN2O2/c1-12-6-5-9-14(16(12)18)20(11-10-15(19)21)17(22)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H2,19,21)
InChIKeyWNBPBACPQBQZCI-UHFFFAOYSA-N
XLogP2.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide (CID 130328320) is N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide is Cc1cccc(N(CCC(N)=O)C(=O)c2ccccc2)c1F.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide?
The InChIKey is WNBPBACPQBQZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-6-5-9-14(16(12)18)20(11-10-15(19)21)17(22)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H2,19,21).
What are the key properties of N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide?
N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide has a molecular weight of 300.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide is sourced from PubChem (CID 130328320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).