3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide

C18H19ClN2O3 — CID 17197376

IUPAC3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(2)20-18(23)13-4-3-5-15(10-13)21-17(22)11-24-16-8-6-14(19)7-9-16/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRUIBSIADFNPXGA-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.50
Rot. Bonds6

About 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide

3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 17197376) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID17197376
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(2)20-18(23)13-4-3-5-15(10-13)21-17(22)11-24-16-8-6-14(19)7-9-16/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRUIBSIADFNPXGA-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197433
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888092
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844
2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide
CID 170896491
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 46456558
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54813153
3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877775

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide (CID 17197376) is 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is RUIBSIADFNPXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(2)20-18(23)13-4-3-5-15(10-13)21-17(22)11-24-16-8-6-14(19)7-9-16/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 346.81 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).