5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide

C11H10ClFN2O — CID 62090270

IUPAC5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
SMILESCC(CC#N)NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H10ClFN2O/c1-7(4-5-14)15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4H2,1H3,(H,15,16)
InChIKeyHNMWFIAVCZUCRZ-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.51
Rot. Bonds3

About 5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide

5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide (PubChem CID 62090270) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
PubChem CID62090270
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
SMILESCC(CC#N)NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H10ClFN2O/c1-7(4-5-14)15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4H2,1H3,(H,15,16)
InChIKeyHNMWFIAVCZUCRZ-UHFFFAOYSA-N
XLogP2.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide (CID 62090270) is 5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide is CC(CC#N)NC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide?
The InChIKey is HNMWFIAVCZUCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-7(4-5-14)15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide?
5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide has a molecular weight of 240.66 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 62090270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).