2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide

C15H16ClNO3 — CID 110274784

IUPAC2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide
SMILESCc1cc(C)c2c(CNC(=O)C(C)Cl)cc(=O)oc2c1
InChIInChI=1S/C15H16ClNO3/c1-8-4-9(2)14-11(7-17-15(19)10(3)16)6-13(18)20-12(14)5-8/h4-6,10H,7H2,1-3H3,(H,17,19)
InChIKeyRLNYBBXYXLUZON-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.65
Rot. Bonds3

About 2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide

2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide (PubChem CID 110274784) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide
PubChem CID110274784
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide
SMILESCc1cc(C)c2c(CNC(=O)C(C)Cl)cc(=O)oc2c1
InChIInChI=1S/C15H16ClNO3/c1-8-4-9(2)14-11(7-17-15(19)10(3)16)6-13(18)20-12(14)5-8/h4-6,10H,7H2,1-3H3,(H,17,19)
InChIKeyRLNYBBXYXLUZON-UHFFFAOYSA-N
XLogP2.65
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide
CID 110274787
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
4-(azepan-1-ylmethyl)-5,7-dimethylchromen-2-one
CID 17250960
methyl 2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate
CID 2945654
methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate
CID 969730
4-(imidazol-1-ylmethyl)-5,7-dimethylchromen-2-one
CID 4966037
2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide
CID 110274494
4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-5,7-dimethylchromen-2-one
CID 2028408
4-ethyl-7-methyl-5-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
CID 701525
3-(chloromethyl)-4,5,7-trimethylchromen-2-one
CID 12868232
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
4-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5,7-dimethylchromen-2-one
CID 17251008

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide (CID 110274784) is 2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide is Cc1cc(C)c2c(CNC(=O)C(C)Cl)cc(=O)oc2c1.
What is the InChIKey of 2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide?
The InChIKey is RLNYBBXYXLUZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-8-4-9(2)14-11(7-17-15(19)10(3)16)6-13(18)20-12(14)5-8/h4-6,10H,7H2,1-3H3,(H,17,19).
What are the key properties of 2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide?
2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide has a molecular weight of 293.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide is sourced from PubChem (CID 110274784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).