3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide

C18H19ClN2O3 — CID 134048764

IUPAC3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(OCC(N)=O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-16(12-6-8-14(19)9-7-12)21-18(23)13-4-3-5-15(10-13)24-11-17(20)22/h3-10,16H,2,11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyOQZZGODFJSIYMJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.09
Rot. Bonds7

About 3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide

3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide (PubChem CID 134048764) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide
PubChem CID134048764
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(OCC(N)=O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-16(12-6-8-14(19)9-7-12)21-18(23)13-4-3-5-15(10-13)24-11-17(20)22/h3-10,16H,2,11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyOQZZGODFJSIYMJ-UHFFFAOYSA-N
XLogP3.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-2-oxoethoxy)-N-(1,2-diphenylethyl)benzamide
CID 134048589
3-[(4-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 3392443
methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate
CID 55775972
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132659858
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
CID 55582198
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51318364
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide (CID 134048764) is 3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide is CCC(NC(=O)c1cccc(OCC(N)=O)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide?
The InChIKey is OQZZGODFJSIYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-16(12-6-8-14(19)9-7-12)21-18(23)13-4-3-5-15(10-13)24-11-17(20)22/h3-10,16H,2,11H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide?
3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide is sourced from PubChem (CID 134048764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).