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

C18H19BrN2O3 — CID 17218749

IUPAC4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-2-11-20-18(23)13-3-7-15(8-4-13)21-17(22)12-24-16-9-5-14(19)6-10-16/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyOOYQMWUGLBCDIW-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.61
Rot. Bonds7

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

4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 17218749) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID17218749
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-2-11-20-18(23)13-3-7-15(8-4-13)21-17(22)12-24-16-9-5-14(19)6-10-16/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyOOYQMWUGLBCDIW-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

4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide
CID 17195175
4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218745
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811079
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 4945967
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191
4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide
CID 156704858
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 17205057
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide (CID 17218749) is 4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is OOYQMWUGLBCDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-2-11-20-18(23)13-3-7-15(8-4-13)21-17(22)12-24-16-9-5-14(19)6-10-16/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide?
4-[[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 4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 17218749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).