N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide

C12H17FN2O — CID 60928010

IUPACN-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
SMILESCC(=O)Nc1cc(NCC(C)C)ccc1F
InChIInChI=1S/C12H17FN2O/c1-8(2)7-14-10-4-5-11(13)12(6-10)15-9(3)16/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyACZCPADVIBNYAN-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.85
Rot. Bonds4

About N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide

N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide (PubChem CID 60928010) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
PubChem CID60928010
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
SMILESCC(=O)Nc1cc(NCC(C)C)ccc1F
InChIInChI=1S/C12H17FN2O/c1-8(2)7-14-10-4-5-11(13)12(6-10)15-9(3)16/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyACZCPADVIBNYAN-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43731832
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
CID 62069998
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
CID 54862670
N-(3-acetamido-4-fluorophenyl)-2-bromo-3-methylbutanamide
CID 43347135
2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 31773500
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide (CID 60928010) is N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide is CC(=O)Nc1cc(NCC(C)C)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide?
The InChIKey is ACZCPADVIBNYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(2)7-14-10-4-5-11(13)12(6-10)15-9(3)16/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide?
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide has a molecular weight of 224.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide is sourced from PubChem (CID 60928010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).