7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide

C17H25FN2O — CID 119746541

IUPAC7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
SMILESC=CCN(Cc1ccccc1F)C(=O)CCCCCCN
InChIInChI=1S/C17H25FN2O/c1-2-13-20(14-15-9-6-7-10-16(15)18)17(21)11-5-3-4-8-12-19/h2,6-7,9-10H,1,3-5,8,11-14,19H2
InChIKeyHCRZDDIGEKJQCJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.25
Rot. Bonds10

About 7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide

7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide (PubChem CID 119746541) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide.

Molecular Properties

Compound Name7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
PubChem CID119746541
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
SMILESC=CCN(Cc1ccccc1F)C(=O)CCCCCCN
InChIInChI=1S/C17H25FN2O/c1-2-13-20(14-15-9-6-7-10-16(15)18)17(21)11-5-3-4-8-12-19/h2,6-7,9-10H,1,3-5,8,11-14,19H2
InChIKeyHCRZDDIGEKJQCJ-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide
CID 54869456
N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55921283
3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
CID 122019259
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 86824770
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide
CID 55920767
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 51089353
(3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide
CID 52510644

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide?
The IUPAC name of 7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide (CID 119746541) is 7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide.
What is the SMILES notation for 7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide?
The canonical SMILES for 7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide is C=CCN(Cc1ccccc1F)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide?
The InChIKey is HCRZDDIGEKJQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-13-20(14-15-9-6-7-10-16(15)18)17(21)11-5-3-4-8-12-19/h2,6-7,9-10H,1,3-5,8,11-14,19H2.
What are the key properties of 7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide?
7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide has a molecular weight of 292.40 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide is sourced from PubChem (CID 119746541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).