3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide

C14H20ClFN2O — CID 119777725

IUPAC3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC(N)CC(=O)NCC(C)(C)c1c(F)cccc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-9(17)7-12(19)18-8-14(2,3)13-10(15)5-4-6-11(13)16/h4-6,9H,7-8,17H2,1-3H3,(H,18,19)
InChIKeyQRAGSEXBBQLEEM-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.61
Rot. Bonds5

About 3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide

3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide (PubChem CID 119777725) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide
PubChem CID119777725
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC(N)CC(=O)NCC(C)(C)c1c(F)cccc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-9(17)7-12(19)18-8-14(2,3)13-10(15)5-4-6-11(13)16/h4-6,9H,7-8,17H2,1-3H3,(H,18,19)
InChIKeyQRAGSEXBBQLEEM-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120991102
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide
CID 120562379
3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119773046
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
CID 119319554
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591825
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119319553
N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 97218335
2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 62596396
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide?
The IUPAC name of 3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide (CID 119777725) is 3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide is CC(N)CC(=O)NCC(C)(C)c1c(F)cccc1Cl.
What is the InChIKey of 3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide?
The InChIKey is QRAGSEXBBQLEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-9(17)7-12(19)18-8-14(2,3)13-10(15)5-4-6-11(13)16/h4-6,9H,7-8,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide?
3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide has a molecular weight of 286.78 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide is sourced from PubChem (CID 119777725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).