N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide

C15H22FN3O — CID 63955514

IUPACN-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(F)c(N)c1)CC1CC1
InChIInChI=1S/C15H22FN3O/c1-2-19(10-11-3-4-11)8-7-15(20)18-12-5-6-13(16)14(17)9-12/h5-6,9,11H,2-4,7-8,10,17H2,1H3,(H,18,20)
InChIKeyKQUTWIRLWCNPMX-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.47
Rot. Bonds7

About N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide

N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide (PubChem CID 63955514) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide
PubChem CID63955514
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(F)c(N)c1)CC1CC1
InChIInChI=1S/C15H22FN3O/c1-2-19(10-11-3-4-11)8-7-15(20)18-12-5-6-13(16)14(17)9-12/h5-6,9,11H,2-4,7-8,10,17H2,1H3,(H,18,20)
InChIKeyKQUTWIRLWCNPMX-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]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-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980
N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
CID 16779657
N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61430870
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63954898
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(3-amino-4-fluorophenyl)-3-[bis(cyanomethyl)amino]propanamide
CID 18071045
3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417
N-(3-amino-4-fluorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540705
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide
CID 107398731
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide (CID 63955514) is N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide is CCN(CCC(=O)Nc1ccc(F)c(N)c1)CC1CC1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide?
The InChIKey is KQUTWIRLWCNPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-19(10-11-3-4-11)8-7-15(20)18-12-5-6-13(16)14(17)9-12/h5-6,9,11H,2-4,7-8,10,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide?
N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide has a molecular weight of 279.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide is sourced from PubChem (CID 63955514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).