N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide

C22H19FN2O3 — CID 24682818

IUPACN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H19FN2O3/c23-18-4-2-1-3-17(18)19-11-12-20(28-19)22(27)24-13-14-5-9-16(10-6-14)25-21(26)15-7-8-15/h1-6,9-12,15H,7-8,13H2,(H,24,27)(H,25,26)
InChIKeyYQKVGXNCBUPHOK-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.36
Rot. Bonds6

About N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide

N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 24682818) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID24682818
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H19FN2O3/c23-18-4-2-1-3-17(18)19-11-12-20(28-19)22(27)24-13-14-5-9-16(10-6-14)25-21(26)15-7-8-15/h1-6,9-12,15H,7-8,13H2,(H,24,27)(H,25,26)
InChIKeyYQKVGXNCBUPHOK-UHFFFAOYSA-N
XLogP4.36
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 25276463
N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51222770
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 46570175
N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059317
5-(2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]furan-2-carboxamide
CID 111333061
N-[4-(difluoromethoxy)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9427796
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 18181740
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 47016894

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide (CID 24682818) is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide is O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is YQKVGXNCBUPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-18-4-2-1-3-17(18)19-11-12-20(28-19)22(27)24-13-14-5-9-16(10-6-14)25-21(26)15-7-8-15/h1-6,9-12,15H,7-8,13H2,(H,24,27)(H,25,26).
What are the key properties of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide?
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 24682818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).