N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide

C17H25FN2O — CID 109020883

IUPACN-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccccc1F)NC1CCCCCC1
InChIInChI=1S/C17H25FN2O/c18-16-10-6-5-7-14(16)13-19-12-11-17(21)20-15-8-3-1-2-4-9-15/h5-7,10,15,19H,1-4,8-9,11-13H2,(H,20,21)
InChIKeyHLQRBEMSKITSEF-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.14
Rot. Bonds6

About N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide

N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide (PubChem CID 109020883) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
PubChem CID109020883
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccccc1F)NC1CCCCCC1
InChIInChI=1S/C17H25FN2O/c18-16-10-6-5-7-14(16)13-19-12-11-17(21)20-15-8-3-1-2-4-9-15/h5-7,10,15,19H,1-4,8-9,11-13H2,(H,20,21)
InChIKeyHLQRBEMSKITSEF-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide 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

N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
N-cyclohexyl-3-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]propanamide
CID 111267039
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
CID 79395029
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 78977855
4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352
N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109013977
N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide
CID 97133447
3-[(2-fluorophenyl)methylamino]propanamide
CID 43090001
N-cyclohexyl-3-(2-ethylanilino)propanamide
CID 109014016

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide?
The IUPAC name of N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide (CID 109020883) is N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide?
The canonical SMILES for N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide is O=C(CCNCc1ccccc1F)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide?
The InChIKey is HLQRBEMSKITSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-16-10-6-5-7-14(16)13-19-12-11-17(21)20-15-8-3-1-2-4-9-15/h5-7,10,15,19H,1-4,8-9,11-13H2,(H,20,21).
What are the key properties of N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide?
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide has a molecular weight of 292.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 109020883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).