N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide

C14H21FN4O2 — CID 106914617

IUPACN-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
SMILESCNC(=O)CCN(C)C(C)C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN4O2/c1-9(19(3)7-6-13(20)17-2)14(21)18-12-5-4-10(15)8-11(12)16/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyAPCATXDXMIKQRN-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.80
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide

N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide (PubChem CID 106914617) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
PubChem CID106914617
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC NameN-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
SMILESCNC(=O)CCN(C)C(C)C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN4O2/c1-9(19(3)7-6-13(20)17-2)14(21)18-12-5-4-10(15)8-11(12)16/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyAPCATXDXMIKQRN-UHFFFAOYSA-N
XLogP0.80
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
CID 106914626
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568695
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960611
N-(2-amino-4-fluorophenyl)-2-(2-hydroxyethoxy)propanamide
CID 43823331
N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374477

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide (CID 106914617) is N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide is CNC(=O)CCN(C)C(C)C(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide?
The InChIKey is APCATXDXMIKQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-9(19(3)7-6-13(20)17-2)14(21)18-12-5-4-10(15)8-11(12)16/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide?
N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide has a molecular weight of 296.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide is sourced from PubChem (CID 106914617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).