2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide

C14H20FN3O — CID 63054343

IUPAC2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide
SMILESCN(CCC(NC1CC1)C(N)=O)c1cccc(F)c1
InChIInChI=1S/C14H20FN3O/c1-18(12-4-2-3-10(15)9-12)8-7-13(14(16)19)17-11-5-6-11/h2-4,9,11,13,17H,5-8H2,1H3,(H2,16,19)
InChIKeyQEYROFANRJLRJM-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.26
Rot. Bonds7

About 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide

2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide (PubChem CID 63054343) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide
PubChem CID63054343
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide
SMILESCN(CCC(NC1CC1)C(N)=O)c1cccc(F)c1
InChIInChI=1S/C14H20FN3O/c1-18(12-4-2-3-10(15)9-12)8-7-13(14(16)19)17-11-5-6-11/h2-4,9,11,13,17H,5-8H2,1H3,(H2,16,19)
InChIKeyQEYROFANRJLRJM-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide 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

4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
CID 63053993
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927
2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 64789581
ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate
CID 63054168
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
CID 79572538
2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide
CID 107660548
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
5-(3-fluoro-N-methylanilino)pentanehydrazide
CID 63583475
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide (CID 63054343) is 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide is CN(CCC(NC1CC1)C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide?
The InChIKey is QEYROFANRJLRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18(12-4-2-3-10(15)9-12)8-7-13(14(16)19)17-11-5-6-11/h2-4,9,11,13,17H,5-8H2,1H3,(H2,16,19).
What are the key properties of 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide?
2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide has a molecular weight of 265.33 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide is sourced from PubChem (CID 63054343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).