6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide

C15H16ClNO3 — CID 100795086

IUPAC6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C15H16ClNO3/c1-3-4-9(2)17-14(18)12-8-10-7-11(16)5-6-13(10)20-15(12)19/h5-9H,3-4H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyMWGZJYRRGYORBF-SECBINFHSA-N
MW293.75 g/mol
LogP3.36
Rot. Bonds4

About 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide

6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide (PubChem CID 100795086) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide
PubChem CID100795086
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C15H16ClNO3/c1-3-4-9(2)17-14(18)12-8-10-7-11(16)5-6-13(10)20-15(12)19/h5-9H,3-4H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyMWGZJYRRGYORBF-SECBINFHSA-N
XLogP3.36
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 724217
ethyl (E,4S)-4-[(6-chloro-2H-chromene-3-carbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 6476909
N-isobutyl-2-oxo-2H-chromene-3-carboxamide
CID 823440
3-Carboxamido coumarin, 5
CID 10657190
N-(4-chlorobenzyl)-2-oxo-2H-chromene-3-carboxamide
CID 694720
N-[2-(3-chlorophenyl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 694726
N-cycloheptyl-2-oxo-2H-chromene-3-carboxamide
CID 898402
6-Chloro-3-(morpholine-4-carbonyl)chromen-2-one
CID 976955
N-isopropyl-2-oxo-2H-chromene-3-carboxamide
CID 682187
[2-[[Acetyl(cyclohexyl)amino]methyl]-4-chlorophenyl] acetate
CID 241212
6-chloro-N-cycloheptyl-2-imino-2H-chromene-3-carboxamide
CID 17373418
N-(2-(cyclohex-1-en-1-yl)ethyl)-2-oxo-2H-chromene-3-carboxamide
CID 869045

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide (CID 100795086) is 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide is CCC[C@@H](C)NC(=O)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide?
The InChIKey is MWGZJYRRGYORBF-SECBINFHSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-3-4-9(2)17-14(18)12-8-10-7-11(16)5-6-13(10)20-15(12)19/h5-9H,3-4H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide?
6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide is sourced from PubChem (CID 100795086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).