N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide

C18H23ClN2O2 — CID 119658454

IUPACN-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H23ClN2O2/c1-12(2)15(20)10-11-21(3)18(22)17-9-8-16(23-17)13-6-4-5-7-14(13)19/h4-9,12,15H,10-11,20H2,1-3H3
InChIKeyPVASMCRAYFOZOP-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.05
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide

N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide (PubChem CID 119658454) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
PubChem CID119658454
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H23ClN2O2/c1-12(2)15(20)10-11-21(3)18(22)17-9-8-16(23-17)13-6-4-5-7-14(13)19/h4-9,12,15H,10-11,20H2,1-3H3
InChIKeyPVASMCRAYFOZOP-UHFFFAOYSA-N
XLogP4.05
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388273
5-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 31285113
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 9085023
N-(3-amino-4-methylpentyl)-N-methyl-5-methylsulfanylfuran-2-carboxamide;hydrochloride
CID 119658758
N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 18277180
N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
CID 119661236
N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride
CID 119658346
5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 86978030
[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 8951363
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide
CID 119660341
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 46624947

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide (CID 119658454) is N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide is CC(C)C(N)CCN(C)C(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide?
The InChIKey is PVASMCRAYFOZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-12(2)15(20)10-11-21(3)18(22)17-9-8-16(23-17)13-6-4-5-7-14(13)19/h4-9,12,15H,10-11,20H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide?
N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 119658454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).