N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide

C18H19FN2O2 — CID 2446878

IUPACN-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O2/c1-13-5-4-7-14(11-13)18(23)20-10-9-17(22)21-12-15-6-2-3-8-16(15)19/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyOLTUTWKYWKZSOM-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.57
Rot. Bonds6

About N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide

N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide (PubChem CID 2446878) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide
PubChem CID2446878
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O2/c1-13-5-4-7-14(11-13)18(23)20-10-9-17(22)21-12-15-6-2-3-8-16(15)19/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyOLTUTWKYWKZSOM-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide (CID 2446878) is N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC(=O)NCc2ccccc2F)c1.
What is the InChIKey of N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide?
The InChIKey is OLTUTWKYWKZSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-5-4-7-14(11-13)18(23)20-10-9-17(22)21-12-15-6-2-3-8-16(15)19/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide?
N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 2446878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).