7-amino-N-(4-fluorophenyl)-N-methylheptanamide

C14H21FN2O — CID 119729880

IUPAC7-amino-N-(4-fluorophenyl)-N-methylheptanamide
SMILESCN(C(=O)CCCCCCN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-17(13-9-7-12(15)8-10-13)14(18)6-4-2-3-5-11-16/h7-10H,2-6,11,16H2,1H3
InChIKeyVYXOJUOMSWOJMK-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.70
Rot. Bonds7

About 7-amino-N-(4-fluorophenyl)-N-methylheptanamide

7-amino-N-(4-fluorophenyl)-N-methylheptanamide (PubChem CID 119729880) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 7-amino-N-(4-fluorophenyl)-N-methylheptanamide.

Molecular Properties

Compound Name7-amino-N-(4-fluorophenyl)-N-methylheptanamide
PubChem CID119729880
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name7-amino-N-(4-fluorophenyl)-N-methylheptanamide
SMILESCN(C(=O)CCCCCCN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-17(13-9-7-12(15)8-10-13)14(18)6-4-2-3-5-11-16/h7-10H,2-6,11,16H2,1H3
InChIKeyVYXOJUOMSWOJMK-UHFFFAOYSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-amino-N-(4-fluorophenyl)-N-methylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
CID 107734249
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
CID 119807713
4-[5-aminopentanoyl(methyl)amino]benzoic acid
CID 104698737
N-(4-fluorophenyl)-N-methylpent-4-ynamide
CID 86086919
N-(4-carbamothioylphenyl)-N-methyloctanamide
CID 62971888
2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide
CID 83624523
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019
N-methyl-N-phenylnonanamide
CID 54136731
4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide
CID 76930705
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide
CID 94626292
N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide
CID 87027884

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-fluorophenyl)-N-methylheptanamide?
The IUPAC name of 7-amino-N-(4-fluorophenyl)-N-methylheptanamide (CID 119729880) is 7-amino-N-(4-fluorophenyl)-N-methylheptanamide.
What is the SMILES notation for 7-amino-N-(4-fluorophenyl)-N-methylheptanamide?
The canonical SMILES for 7-amino-N-(4-fluorophenyl)-N-methylheptanamide is CN(C(=O)CCCCCCN)c1ccc(F)cc1.
What is the InChIKey of 7-amino-N-(4-fluorophenyl)-N-methylheptanamide?
The InChIKey is VYXOJUOMSWOJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17(13-9-7-12(15)8-10-13)14(18)6-4-2-3-5-11-16/h7-10H,2-6,11,16H2,1H3.
What are the key properties of 7-amino-N-(4-fluorophenyl)-N-methylheptanamide?
7-amino-N-(4-fluorophenyl)-N-methylheptanamide has a molecular weight of 252.33 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-fluorophenyl)-N-methylheptanamide is sourced from PubChem (CID 119729880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).