N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide

C19H20FNO — CID 2829750

IUPACN-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c1-14(16-7-8-16)21(13-15-5-3-2-4-6-15)19(22)17-9-11-18(20)12-10-17/h2-6,9-12,14,16H,7-8,13H2,1H3
InChIKeyNRJXPCVXNPNZEQ-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.27
Rot. Bonds5

About N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide

N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide (PubChem CID 2829750) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide
PubChem CID2829750
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c1-14(16-7-8-16)21(13-15-5-3-2-4-6-15)19(22)17-9-11-18(20)12-10-17/h2-6,9-12,14,16H,7-8,13H2,1H3
InChIKeyNRJXPCVXNPNZEQ-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide (CID 2829750) is N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide is CC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide?
The InChIKey is NRJXPCVXNPNZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14(16-7-8-16)21(13-15-5-3-2-4-6-15)19(22)17-9-11-18(20)12-10-17/h2-6,9-12,14,16H,7-8,13H2,1H3.
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide?
N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide has a molecular weight of 297.37 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-4-fluorobenzamide is sourced from PubChem (CID 2829750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).