2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide

C21H24ClNO3 — CID 132656171

IUPAC2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
SMILESCc1ccc2c(c1)C(NC(=O)C(C)Oc1ccc(Cl)cc1)CC(C)(C)O2
InChIInChI=1S/C21H24ClNO3/c1-13-5-10-19-17(11-13)18(12-21(3,4)26-19)23-20(24)14(2)25-16-8-6-15(22)7-9-16/h5-11,14,18H,12H2,1-4H3,(H,23,24)
InChIKeyVFNXYYKVPIOSIB-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.83
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide

2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide (PubChem CID 132656171) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
PubChem CID132656171
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
SMILESCc1ccc2c(c1)C(NC(=O)C(C)Oc1ccc(Cl)cc1)CC(C)(C)O2
InChIInChI=1S/C21H24ClNO3/c1-13-5-10-19-17(11-13)18(12-21(3,4)26-19)23-20(24)14(2)25-16-8-6-15(22)7-9-16/h5-11,14,18H,12H2,1-4H3,(H,23,24)
InChIKeyVFNXYYKVPIOSIB-UHFFFAOYSA-N
XLogP4.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656172
2-(4-methoxyphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132655388
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100761977
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100528268
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide
CID 132651020
2-(4-chlorophenyl)sulfanyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132662167
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132657315
(E)-3-(4-chlorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)prop-2-enamide
CID 132653752
3-(4-chlorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590438
4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133201576
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide (CID 132656171) is 2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide is Cc1ccc2c(c1)C(NC(=O)C(C)Oc1ccc(Cl)cc1)CC(C)(C)O2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
The InChIKey is VFNXYYKVPIOSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-13-5-10-19-17(11-13)18(12-21(3,4)26-19)23-20(24)14(2)25-16-8-6-15(22)7-9-16/h5-11,14,18H,12H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide has a molecular weight of 373.88 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide is sourced from PubChem (CID 132656171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).