2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide

C18H18ClNO3 — CID 162653411

IUPAC2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2COc3ccccc3C2)cc1Cl
InChIInChI=1S/C18H18ClNO3/c1-22-17-7-6-12(8-15(17)19)9-18(21)20-14-10-13-4-2-3-5-16(13)23-11-14/h2-8,14H,9-11H2,1H3,(H,20,21)
InChIKeyNCEZNJPFUSKAFY-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.01
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide

2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide (PubChem CID 162653411) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide
PubChem CID162653411
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2COc3ccccc3C2)cc1Cl
InChIInChI=1S/C18H18ClNO3/c1-22-17-7-6-12(8-15(17)19)9-18(21)20-14-10-13-4-2-3-5-16(13)23-11-14/h2-8,14H,9-11H2,1H3,(H,20,21)
InChIKeyNCEZNJPFUSKAFY-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide (CID 162653411) is 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide is COc1ccc(CC(=O)NC2COc3ccccc3C2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide?
The InChIKey is NCEZNJPFUSKAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-22-17-7-6-12(8-15(17)19)9-18(21)20-14-10-13-4-2-3-5-16(13)23-11-14/h2-8,14H,9-11H2,1H3,(H,20,21).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide?
2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide has a molecular weight of 331.80 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide is sourced from PubChem (CID 162653411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).