N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide

C15H16FNO — CID 113330077

IUPACN-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(CC1CC1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-2-9-17(11-13-3-4-13)15(18)10-12-5-7-14(16)8-6-12/h1,5-8,13H,3-4,9-11H2
InChIKeyPMKQBAVLHPKCII-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.24
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide

N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide (PubChem CID 113330077) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
PubChem CID113330077
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC NameN-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(CC1CC1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-2-9-17(11-13-3-4-13)15(18)10-12-5-7-14(16)8-6-12/h1,5-8,13H,3-4,9-11H2
InChIKeyPMKQBAVLHPKCII-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.24
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
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608292
N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 115532673
N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787
N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide
CID 107030502
N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide
CID 115532424
N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide
CID 115549862
2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide
CID 63956825
N-(cyclopropylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999288
N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide
CID 111332009
4-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 115532633
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide (CID 113330077) is N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide is C#CCN(CC1CC1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide?
The InChIKey is PMKQBAVLHPKCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-9-17(11-13-3-4-13)15(18)10-12-5-7-14(16)8-6-12/h1,5-8,13H,3-4,9-11H2.
What are the key properties of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide?
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide has a molecular weight of 245.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 113330077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).