N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide

C15H15FN2O3 — CID 38741621

IUPACN-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2ccoc2)c(F)c1
InChIInChI=1S/C15H15FN2O3/c1-10-2-3-13(12(16)8-10)18-14(19)4-6-17-15(20)11-5-7-21-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,17,20)(H,18,19)
InChIKeyGSCQHYDLJKRTLZ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.49
Rot. Bonds5

About N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide

N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide (PubChem CID 38741621) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide
PubChem CID38741621
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2ccoc2)c(F)c1
InChIInChI=1S/C15H15FN2O3/c1-10-2-3-13(12(16)8-10)18-14(19)4-6-17-15(20)11-5-7-21-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,17,20)(H,18,19)
InChIKeyGSCQHYDLJKRTLZ-UHFFFAOYSA-N
XLogP2.49
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide
CID 38764774
N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide
CID 32600536
N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
CID 47071758
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide
CID 51092120
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 17499617

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide (CID 38741621) is N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide is Cc1ccc(NC(=O)CCNC(=O)c2ccoc2)c(F)c1.
What is the InChIKey of N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is GSCQHYDLJKRTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10-2-3-13(12(16)8-10)18-14(19)4-6-17-15(20)11-5-7-21-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide?
N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 38741621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).