N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide

C15H15F2NO — CID 113330087

IUPACN-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(CC1CC1)C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H15F2NO/c1-2-8-18(10-11-6-7-11)15(19)9-12-13(16)4-3-5-14(12)17/h1,3-5,11H,6-10H2
InChIKeyRXNRDLMHTZIWHG-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.38
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide

N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide (PubChem CID 113330087) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide
PubChem CID113330087
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC NameN-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(CC1CC1)C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H15F2NO/c1-2-8-18(10-11-6-7-11)15(19)9-12-13(16)4-3-5-14(12)17/h1,3-5,11H,6-10H2
InChIKeyRXNRDLMHTZIWHG-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077
N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 115532673
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
4-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 115532633
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79698350
N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide
CID 115549862
N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 104917550
N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide
CID 115532611
N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide
CID 115532424
N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide
CID 115532616
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide (CID 113330087) is N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide is C#CCN(CC1CC1)C(=O)Cc1c(F)cccc1F.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide?
The InChIKey is RXNRDLMHTZIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-2-8-18(10-11-6-7-11)15(19)9-12-13(16)4-3-5-14(12)17/h1,3-5,11H,6-10H2.
What are the key properties of N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide?
N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide has a molecular weight of 263.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 113330087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).