N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide

C18H18ClNO4 — CID 2709416

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H18ClNO4/c1-3-16(21)12-4-7-14(8-5-12)24-11-18(22)20-13-6-9-17(23-2)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyJWFBJAVDVGTLFT-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.96
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 2709416) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID2709416
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H18ClNO4/c1-3-16(21)12-4-7-14(8-5-12)24-11-18(22)20-13-6-9-17(23-2)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyJWFBJAVDVGTLFT-UHFFFAOYSA-N
XLogP3.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide
CID 23409469
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
N-(3-chloro-4-methoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174245
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 8014586
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 2995282
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide (CID 2709416) is N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is JWFBJAVDVGTLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-3-16(21)12-4-7-14(8-5-12)24-11-18(22)20-13-6-9-17(23-2)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 347.80 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 2709416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).