4-amino-N-(3-chloro-4-fluorophenyl)butanamide

C10H12ClFN2O — CID 22692197

IUPAC4-amino-N-(3-chloro-4-fluorophenyl)butanamide
SMILESNCCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c11-8-6-7(3-4-9(8)12)14-10(15)2-1-5-13/h3-4,6H,1-2,5,13H2,(H,14,15)
InChIKeyUTBDCAMGEUJUMA-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.16
Rot. Bonds4

About 4-amino-N-(3-chloro-4-fluorophenyl)butanamide

4-amino-N-(3-chloro-4-fluorophenyl)butanamide (PubChem CID 22692197) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-fluorophenyl)butanamide
PubChem CID22692197
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name4-amino-N-(3-chloro-4-fluorophenyl)butanamide
SMILESNCCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c11-8-6-7(3-4-9(8)12)14-10(15)2-1-5-13/h3-4,6H,1-2,5,13H2,(H,14,15)
InChIKeyUTBDCAMGEUJUMA-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
5-(4-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712178
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692
4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
CID 119322335
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
CID 119299938
3-[[4-(3-chloro-4-fluoroanilino)-4-oxobutanoyl]amino]propanoic acid
CID 50985332
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)butanamide?
The IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)butanamide (CID 22692197) is 4-amino-N-(3-chloro-4-fluorophenyl)butanamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-fluorophenyl)butanamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-fluorophenyl)butanamide is NCCCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-amino-N-(3-chloro-4-fluorophenyl)butanamide?
The InChIKey is UTBDCAMGEUJUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-8-6-7(3-4-9(8)12)14-10(15)2-1-5-13/h3-4,6H,1-2,5,13H2,(H,14,15).
What are the key properties of 4-amino-N-(3-chloro-4-fluorophenyl)butanamide?
4-amino-N-(3-chloro-4-fluorophenyl)butanamide has a molecular weight of 230.67 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-fluorophenyl)butanamide is sourced from PubChem (CID 22692197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).