4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide

C14H21FN2O — CID 112516304

IUPAC4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(CCN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-10(2)9-17-14(18)13(7-8-16)11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyMLIZDTDCLTTYRD-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.03
Rot. Bonds6

About 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide

4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide (PubChem CID 112516304) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide
PubChem CID112516304
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(CCN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-10(2)9-17-14(18)13(7-8-16)11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyMLIZDTDCLTTYRD-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)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-amino-N-(2-methylpropyl)-2-phenylbutanamide
CID 112515492
5-amino-N-ethyl-2-(4-fluorophenyl)pentanamide
CID 112515678
3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 48846361
3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride
CID 120616335
4-amino-N-propan-2-yl-2-(4-propan-2-ylphenyl)butanamide
CID 112516984
5-(ethylamino)-4-(4-fluorophenyl)-5-oxopentanoic acid
CID 112516346
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
CID 120502200
N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 110301477
2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide
CID 147045544
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide (CID 112516304) is 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)C(CCN)c1ccc(F)cc1.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide?
The InChIKey is MLIZDTDCLTTYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)9-17-14(18)13(7-8-16)11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide?
4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide has a molecular weight of 252.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 112516304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).