N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide

C14H19ClN2O2 — CID 119746250

IUPACN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC1CCOc2c(Cl)cccc21
InChIInChI=1S/C14H19ClN2O2/c1-9(8-16-2)14(18)17-12-6-7-19-13-10(12)4-3-5-11(13)15/h3-5,9,12,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyPCHYEHCTPUWOID-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.14
Rot. Bonds4

About N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide (PubChem CID 119746250) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
PubChem CID119746250
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC1CCOc2c(Cl)cccc21
InChIInChI=1S/C14H19ClN2O2/c1-9(8-16-2)14(18)17-12-6-7-19-13-10(12)4-3-5-11(13)15/h3-5,9,12,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyPCHYEHCTPUWOID-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide (CID 119746250) is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC1CCOc2c(Cl)cccc21.
What is the InChIKey of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is PCHYEHCTPUWOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(8-16-2)14(18)17-12-6-7-19-13-10(12)4-3-5-11(13)15/h3-5,9,12,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide?
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 282.77 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119746250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).