N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide

C14H21FN2O — CID 62966369

IUPACN-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCCC(C)(C)C)c1
InChIInChI=1S/C14H21FN2O/c1-10(18)17-11-5-6-12(15)13(9-11)16-8-7-14(2,3)4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyKDGLZXNOGNMPNO-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.63
Rot. Bonds4

About N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide

N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide (PubChem CID 62966369) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
PubChem CID62966369
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCCC(C)(C)C)c1
InChIInChI=1S/C14H21FN2O/c1-10(18)17-11-5-6-12(15)13(9-11)16-8-7-14(2,3)4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyKDGLZXNOGNMPNO-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide
CID 79796992
N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672553
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597
(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 76893268
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide
CID 43778935
N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62845784
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide (CID 62966369) is N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NCCC(C)(C)C)c1.
What is the InChIKey of N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide?
The InChIKey is KDGLZXNOGNMPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(18)17-11-5-6-12(15)13(9-11)16-8-7-14(2,3)4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18).
What are the key properties of N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide?
N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide has a molecular weight of 252.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide is sourced from PubChem (CID 62966369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).