N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide

C14H12Cl2FNO2 — CID 112764235

IUPACN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2cc(F)c(Cl)cc2Cl)o1
InChIInChI=1S/C14H12Cl2FNO2/c1-7-3-4-13(20-7)14(19)18-8(2)9-5-12(17)11(16)6-10(9)15/h3-6,8H,1-2H3,(H,18,19)
InChIKeyYDCVYPDUPPGPGY-UHFFFAOYSA-N
MW316.16 g/mol
LogP4.52
Rot. Bonds3

About N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide (PubChem CID 112764235) has the molecular formula C14H12Cl2FNO2 and a molecular weight of 316.16 g/mol. Its IUPAC name is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
PubChem CID112764235
Molecular FormulaC14H12Cl2FNO2
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2cc(F)c(Cl)cc2Cl)o1
InChIInChI=1S/C14H12Cl2FNO2/c1-7-3-4-13(20-7)14(19)18-8(2)9-5-12(17)11(16)6-10(9)15/h3-6,8H,1-2H3,(H,18,19)
InChIKeyYDCVYPDUPPGPGY-UHFFFAOYSA-N
XLogP4.52
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17327235
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 2452836
N-[1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 4878419
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25439790
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(2-methylpropanoylamino)benzamide
CID 112819236
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150886
1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 9440470
N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9232204
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112764288
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-methylsulfonylbenzamide
CID 51150883
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide (CID 112764235) is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC(C)c2cc(F)c(Cl)cc2Cl)o1.
What is the InChIKey of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
The InChIKey is YDCVYPDUPPGPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2/c1-7-3-4-13(20-7)14(19)18-8(2)9-5-12(17)11(16)6-10(9)15/h3-6,8H,1-2H3,(H,18,19).
What are the key properties of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide has a molecular weight of 316.16 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 112764235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).