2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide

C18H19BrN2O3 — CID 4945967

IUPAC2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O3/c1-2-11-20-18(23)15-5-3-4-6-16(15)21-17(22)12-24-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyDMNXEJDNZUPVML-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.61
Rot. Bonds7

About 2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide

2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 4945967) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID4945967
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O3/c1-2-11-20-18(23)15-5-3-4-6-16(15)21-17(22)12-24-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyDMNXEJDNZUPVML-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4946012
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4942499
2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4945928
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide
CID 30335928
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
N-ethyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17093296
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide (CID 4945967) is 2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is DMNXEJDNZUPVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-2-11-20-18(23)15-5-3-4-6-16(15)21-17(22)12-24-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide?
2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide has a molecular weight of 391.27 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 4945967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).