methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate

C18H20FNO4 — CID 3646174

IUPACmethyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H20FNO4/c1-11(2)10-14(18(22)23-3)20-17(21)16-9-8-15(24-16)12-4-6-13(19)7-5-12/h4-9,11,14H,10H2,1-3H3,(H,20,21)
InChIKeyATCKHIONSMUQAX-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.40
Rot. Bonds6

About methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate

methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate (PubChem CID 3646174) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate
PubChem CID3646174
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Namemethyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H20FNO4/c1-11(2)10-14(18(22)23-3)20-17(21)16-9-8-15(24-16)12-4-6-13(19)7-5-12/h4-9,11,14H,10H2,1-3H3,(H,20,21)
InChIKeyATCKHIONSMUQAX-UHFFFAOYSA-N
XLogP3.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
methyl 3-(3-fluoro-4-iodophenyl)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 66630459
(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid
CID 119363534
(2S)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 94317037
(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid
CID 40814315
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
5-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 51185180
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate
CID 115745150
methyl (2S)-4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pentanoate
CID 58696904
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 51475340

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate (CID 3646174) is methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate?
The InChIKey is ATCKHIONSMUQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-11(2)10-14(18(22)23-3)20-17(21)16-9-8-15(24-16)12-4-6-13(19)7-5-12/h4-9,11,14H,10H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate?
methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate has a molecular weight of 333.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate is sourced from PubChem (CID 3646174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).