N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide

C17H19FN2O3 — CID 4639434

IUPACN-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1
InChIInChI=1S/C17H19FN2O3/c1-2-20(17(22)14-8-10-23-12-14)9-7-16(21)19-11-13-3-5-15(18)6-4-13/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,19,21)
InChIKeyCYMMACPTIFRWEF-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.59
Rot. Bonds7

About N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide

N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 4639434) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide
PubChem CID4639434
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC NameN-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1
InChIInChI=1S/C17H19FN2O3/c1-2-20(17(22)14-8-10-23-12-14)9-7-16(21)19-11-13-3-5-15(18)6-4-13/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,19,21)
InChIKeyCYMMACPTIFRWEF-UHFFFAOYSA-N
XLogP2.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide
CID 42779663
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
2-(4-fluorophenyl)-N-(furan-3-ylmethyl)acetamide
CID 47285310
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide
CID 3449289
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 7330670
N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 5127775
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 4148902
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide (CID 4639434) is N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide is CCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1.
What is the InChIKey of N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is CYMMACPTIFRWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-2-20(17(22)14-8-10-23-12-14)9-7-16(21)19-11-13-3-5-15(18)6-4-13/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,19,21).
What are the key properties of N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide?
N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 4639434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).