4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide

C14H21ClFN3O — CID 107527895

IUPAC4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide
SMILESCC(C)(C)NC(=O)CC(CN)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H21ClFN3O/c1-14(2,3)19-13(20)7-10(8-17)18-12-6-9(16)4-5-11(12)15/h4-6,10,18H,7-8,17H2,1-3H3,(H,19,20)
InChIKeyKSCCPPVZBXMGNH-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.52
Rot. Bonds5

About 4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide

4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide (PubChem CID 107527895) has the molecular formula C14H21ClFN3O and a molecular weight of 301.79 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide
PubChem CID107527895
Molecular FormulaC14H21ClFN3O
Molecular Weight301.79 g/mol
Exact Mass301.14
IUPAC Name4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide
SMILESCC(C)(C)NC(=O)CC(CN)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H21ClFN3O/c1-14(2,3)19-13(20)7-10(8-17)18-12-6-9(16)4-5-11(12)15/h4-6,10,18H,7-8,17H2,1-3H3,(H,19,20)
InChIKeyKSCCPPVZBXMGNH-UHFFFAOYSA-N
XLogP2.52
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide (CID 107527895) is 4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide is CC(C)(C)NC(=O)CC(CN)Nc1cc(F)ccc1Cl.
What is the InChIKey of 4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide?
The InChIKey is KSCCPPVZBXMGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3O/c1-14(2,3)19-13(20)7-10(8-17)18-12-6-9(16)4-5-11(12)15/h4-6,10,18H,7-8,17H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide?
4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide has a molecular weight of 301.79 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide is sourced from PubChem (CID 107527895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).