(2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide

C17H26FN3O2 — CID 37310616

IUPAC(2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide
SMILESCC(=O)Nc1cc(N[C@H](C)C(=O)N(C(C)C)C(C)C)ccc1F
InChIInChI=1S/C17H26FN3O2/c1-10(2)21(11(3)4)17(23)12(5)19-14-7-8-15(18)16(9-14)20-13(6)22/h7-12,19H,1-6H3,(H,20,22)/t12-/m1/s1
InChIKeyCWWLDFUCNCMZHN-GFCCVEGCSA-N
MW323.41 g/mol
LogP3.23
Rot. Bonds6

About (2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide

(2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide (PubChem CID 37310616) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is (2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide
PubChem CID37310616
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name(2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide
SMILESCC(=O)Nc1cc(N[C@H](C)C(=O)N(C(C)C)C(C)C)ccc1F
InChIInChI=1S/C17H26FN3O2/c1-10(2)21(11(3)4)17(23)12(5)19-14-7-8-15(18)16(9-14)20-13(6)22/h7-12,19H,1-6H3,(H,20,22)/t12-/m1/s1
InChIKeyCWWLDFUCNCMZHN-GFCCVEGCSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[1-(4-hydroxyphenyl)ethylamino]phenyl]acetamide
CID 60927140
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
(2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 25483651
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide
CID 60927482
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
N-(3-acetamido-4-fluorophenyl)-2-bromo-3-methylbutanamide
CID 43347135
methyl 2-(3-acetamido-4-fluoroanilino)butanoate
CID 110209270
N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115925911
N-[2-fluoro-5-[1-(5-fluoro-3-pyridinyl)ethylamino]phenyl]acetamide
CID 103935526

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide (CID 37310616) is (2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide is CC(=O)Nc1cc(N[C@H](C)C(=O)N(C(C)C)C(C)C)ccc1F.
What is the InChIKey of (2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide?
The InChIKey is CWWLDFUCNCMZHN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-10(2)21(11(3)4)17(23)12(5)19-14-7-8-15(18)16(9-14)20-13(6)22/h7-12,19H,1-6H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide?
(2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide has a molecular weight of 323.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 37310616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).