N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide

C14H20FN3O — CID 43263780

IUPACN-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(F)cc1N)C1CC1
InChIInChI=1S/C14H20FN3O/c1-2-18(11-4-5-11)8-7-14(19)17-13-6-3-10(15)9-12(13)16/h3,6,9,11H,2,4-5,7-8,16H2,1H3,(H,17,19)
InChIKeyNMTVSXRAUSHMGO-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.22
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide

N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide (PubChem CID 43263780) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
PubChem CID43263780
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(F)cc1N)C1CC1
InChIInChI=1S/C14H20FN3O/c1-2-18(11-4-5-11)8-7-14(19)17-13-6-3-10(15)9-12(13)16/h3,6,9,11H,2,4-5,7-8,16H2,1H3,(H,17,19)
InChIKeyNMTVSXRAUSHMGO-UHFFFAOYSA-N
XLogP2.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(3-amino-2-methylphenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263763
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568695
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
CID 43540741
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136415
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide (CID 43263780) is N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide is CCN(CCC(=O)Nc1ccc(F)cc1N)C1CC1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide?
The InChIKey is NMTVSXRAUSHMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-18(11-4-5-11)8-7-14(19)17-13-6-3-10(15)9-12(13)16/h3,6,9,11H,2,4-5,7-8,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide?
N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide has a molecular weight of 265.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide is sourced from PubChem (CID 43263780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).