N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide

C15H20FNO — CID 86976376

IUPACN-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO/c1-2-8-17(11-12-6-7-12)15(18)10-13-4-3-5-14(16)9-13/h3-5,9,12H,2,6-8,10-11H2,1H3
InChIKeyMEZACLKYBJHPHL-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.02
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide

N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide (PubChem CID 86976376) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
PubChem CID86976376
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO/c1-2-8-17(11-12-6-7-12)15(18)10-13-4-3-5-14(16)9-13/h3-5,9,12H,2,6-8,10-11H2,1H3
InChIKeyMEZACLKYBJHPHL-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625837
2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702214
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076
2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
CID 43656062
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide
CID 104916648
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62618352
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
CID 120793404
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide (CID 86976376) is N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide is CCCN(CC1CC1)C(=O)Cc1cccc(F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide?
The InChIKey is MEZACLKYBJHPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-2-8-17(11-12-6-7-12)15(18)10-13-4-3-5-14(16)9-13/h3-5,9,12H,2,6-8,10-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide?
N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide has a molecular weight of 249.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide is sourced from PubChem (CID 86976376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).