methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate

C15H14FNO4 — CID 37351586

IUPACmethyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H14FNO4/c1-20-14(18)8-9-17-15(19)13-7-6-12(21-13)10-2-4-11(16)5-3-10/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyREPXVWZTBCBHAS-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.38
Rot. Bonds5

About methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate

methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate (PubChem CID 37351586) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
PubChem CID37351586
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Namemethyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H14FNO4/c1-20-14(18)8-9-17-15(19)13-7-6-12(21-13)10-2-4-11(16)5-3-10/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyREPXVWZTBCBHAS-UHFFFAOYSA-N
XLogP2.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide
CID 37438823
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 8533422
N-(2-amino-2-ethylbutyl)-5-(4-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119643079
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37393794
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 2145634

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate (CID 37351586) is methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate?
The InChIKey is REPXVWZTBCBHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-20-14(18)8-9-17-15(19)13-7-6-12(21-13)10-2-4-11(16)5-3-10/h2-7H,8-9H2,1H3,(H,17,19).
What are the key properties of methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate?
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate has a molecular weight of 291.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate is sourced from PubChem (CID 37351586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).