N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide

C19H23FN2O3 — CID 133213036

IUPACN-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCc1ccco1
InChIInChI=1S/C19H23FN2O3/c1-3-5-18(23)22(13-15-7-9-16(20)10-8-15)14(2)19(24)21-12-17-6-4-11-25-17/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,21,24)
InChIKeyZMYBARMAGSCNBU-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.25
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide

N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide (PubChem CID 133213036) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide
PubChem CID133213036
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCc1ccco1
InChIInChI=1S/C19H23FN2O3/c1-3-5-18(23)22(13-15-7-9-16(20)10-8-15)14(2)19(24)21-12-17-6-4-11-25-17/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,21,24)
InChIKeyZMYBARMAGSCNBU-UHFFFAOYSA-N
XLogP3.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 133149624
2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133148522
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 132707568
2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132668005
N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316221
N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25314627
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132703784
N-[(4-bromophenyl)methyl]-N-[(2S)-1-(butylamino)-1-oxopropan-2-yl]butanamide
CID 100578798
2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
CID 132650363
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238309
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132655610

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide (CID 133213036) is N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide is CCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCc1ccco1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide?
The InChIKey is ZMYBARMAGSCNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-3-5-18(23)22(13-15-7-9-16(20)10-8-15)14(2)19(24)21-12-17-6-4-11-25-17/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide?
N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide has a molecular weight of 346.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 133213036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).