N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide

C14H13F2NO — CID 115532787

IUPACN-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C14H13F2NO/c1-2-8-17(9-10-6-7-10)14(18)13-11(15)4-3-5-12(13)16/h1,3-5,10H,6-9H2
InChIKeyXKTDAWJYXIAVCZ-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.45
Rot. Bonds4

About N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide

N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide (PubChem CID 115532787) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
PubChem CID115532787
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC NameN-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C14H13F2NO/c1-2-8-17(9-10-6-7-10)14(18)13-11(15)4-3-5-12(13)16/h1,3-5,10H,6-9H2
InChIKeyXKTDAWJYXIAVCZ-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.45
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-(2,6-difluorophenyl)-N-prop-2-ynylacetamide
CID 113330087
4-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 115532633
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-fluoro-6-hydroxy-N-propylbenzamide
CID 104916648
N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide
CID 115532616
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077
N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide
CID 115532695
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487
N-(cyclopropylmethyl)-2-methyl-3-nitro-N-prop-2-ynylbenzamide
CID 115532484
N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532676
N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide
CID 115532708

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide (CID 115532787) is N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide is C#CCN(CC1CC1)C(=O)c1c(F)cccc1F.
What is the InChIKey of N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide?
The InChIKey is XKTDAWJYXIAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-2-8-17(9-10-6-7-10)14(18)13-11(15)4-3-5-12(13)16/h1,3-5,10H,6-9H2.
What are the key properties of N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide?
N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide has a molecular weight of 249.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide is sourced from PubChem (CID 115532787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).