2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide

C15H16ClNO3 — CID 110274787

IUPAC2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide
SMILESCc1cc(C)c2oc(=O)cc(CNC(=O)C(C)Cl)c2c1
InChIInChI=1S/C15H16ClNO3/c1-8-4-9(2)14-12(5-8)11(6-13(18)20-14)7-17-15(19)10(3)16/h4-6,10H,7H2,1-3H3,(H,17,19)
InChIKeyNIQKVTCNVSARLD-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.65
Rot. Bonds3

About 2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide

2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide (PubChem CID 110274787) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide
PubChem CID110274787
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide
SMILESCc1cc(C)c2oc(=O)cc(CNC(=O)C(C)Cl)c2c1
InChIInChI=1S/C15H16ClNO3/c1-8-4-9(2)14-12(5-8)11(6-13(18)20-14)7-17-15(19)10(3)16/h4-6,10H,7H2,1-3H3,(H,17,19)
InChIKeyNIQKVTCNVSARLD-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-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide
CID 110274784
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
2-[(6,8-dimethyl-2-oxochromen-4-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 50955316
2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
CID 82109945
2-amino-N-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)methyl]propanamide
CID 56930800
4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6,8-dimethylchromen-2-one
CID 7198582
2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide
CID 110274494
4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-6,8-dimethylchromen-2-one
CID 3818799
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
3-tert-butyl-5,7-dimethyl-1-benzofuran-2-carboxylic acid
CID 55068543
2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide
CID 110274492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide (CID 110274787) is 2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide is Cc1cc(C)c2oc(=O)cc(CNC(=O)C(C)Cl)c2c1.
What is the InChIKey of 2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide?
The InChIKey is NIQKVTCNVSARLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-8-4-9(2)14-12(5-8)11(6-13(18)20-14)7-17-15(19)10(3)16/h4-6,10H,7H2,1-3H3,(H,17,19).
What are the key properties of 2-chloro-N-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide?
2-chloro-N-[(6,8-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-[(6,8-dimethyl-2-oxochromen-4-yl)methyl]propanamide is sourced from PubChem (CID 110274787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).