4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide

C14H15FN2O2 — CID 63083935

IUPAC4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
SMILESCC(Cc1ccco1)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-9(7-11-3-2-6-19-11)17-13-8-10(14(16)18)4-5-12(13)15/h2-6,8-9,17H,7H2,1H3,(H2,16,18)
InChIKeyBGURCPQXNGWVHY-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.56
Rot. Bonds5

About 4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide

4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide (PubChem CID 63083935) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
PubChem CID63083935
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
SMILESCC(Cc1ccco1)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-9(7-11-3-2-6-19-11)17-13-8-10(14(16)18)4-5-12(13)15/h2-6,8-9,17H,7H2,1H3,(H2,16,18)
InChIKeyBGURCPQXNGWVHY-UHFFFAOYSA-N
XLogP2.56
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63356356
methyl 4-fluoro-3-[4-(furan-2-yl)butan-2-ylamino]benzoate
CID 43684512
3-amino-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 61471368
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
4-[1-(furan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 62709297
3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide
CID 102664181
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate
CID 63086324
4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43701200

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide?
The IUPAC name of 4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide (CID 63083935) is 4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide.
What is the SMILES notation for 4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide?
The canonical SMILES for 4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide is CC(Cc1ccco1)Nc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide?
The InChIKey is BGURCPQXNGWVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9(7-11-3-2-6-19-11)17-13-8-10(14(16)18)4-5-12(13)15/h2-6,8-9,17H,7H2,1H3,(H2,16,18).
What are the key properties of 4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide?
4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide has a molecular weight of 262.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide is sourced from PubChem (CID 63083935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).