N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide

C16H19ClN2O2 — CID 17436769

IUPACN-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)C(C)C(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C16H19ClN2O2/c1-11-7-8-15(21-11)10-19(3)12(2)16(20)18-14-6-4-5-13(17)9-14/h4-9,12H,10H2,1-3H3,(H,18,20)
InChIKeyZDIMOWAHYHUMJT-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.70
Rot. Bonds5

About N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide

N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide (PubChem CID 17436769) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
PubChem CID17436769
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)C(C)C(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C16H19ClN2O2/c1-11-7-8-15(21-11)10-19(3)12(2)16(20)18-14-6-4-5-13(17)9-14/h4-9,12H,10H2,1-3H3,(H,18,20)
InChIKeyZDIMOWAHYHUMJT-UHFFFAOYSA-N
XLogP3.70
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102045
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119912317
(2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9102269
(2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 9102051
N-(3-acetylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetamide
CID 17453268
(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102232
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 86984191
(2R)-N-(3-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26381467
1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea
CID 38285214
N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881185
N-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 51167371

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide (CID 17436769) is N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide is Cc1ccc(CN(C)C(C)C(=O)Nc2cccc(Cl)c2)o1.
What is the InChIKey of N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The InChIKey is ZDIMOWAHYHUMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11-7-8-15(21-11)10-19(3)12(2)16(20)18-14-6-4-5-13(17)9-14/h4-9,12H,10H2,1-3H3,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide has a molecular weight of 306.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 17436769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).