N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide

C18H17BrFN3O4 — CID 56516276

IUPACN-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C18H17BrFN3O4/c19-11-5-6-15(13(20)9-11)27-10-17(25)23-14-4-2-1-3-12(14)18(26)22-8-7-16(21)24/h1-6,9H,7-8,10H2,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyZBFVYHPMBQNQGW-UHFFFAOYSA-N
MW438.25 g/mol
LogP2.21
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide

N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide (PubChem CID 56516276) has the molecular formula C18H17BrFN3O4 and a molecular weight of 438.25 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
PubChem CID56516276
Molecular FormulaC18H17BrFN3O4
Molecular Weight438.25 g/mol
Exact Mass437.04
IUPAC NameN-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C18H17BrFN3O4/c19-11-5-6-15(13(20)9-11)27-10-17(25)23-14-4-2-1-3-12(14)18(26)22-8-7-16(21)24/h1-6,9H,7-8,10H2,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyZBFVYHPMBQNQGW-UHFFFAOYSA-N
XLogP2.21
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.25
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929767
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
N-(3-amino-3-oxopropyl)-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzamide
CID 56573020
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949446
2-(4-bromo-2-fluorophenoxy)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 26894979
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150278
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 17188917
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide (CID 56516276) is N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide is NC(=O)CCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
The InChIKey is ZBFVYHPMBQNQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O4/c19-11-5-6-15(13(20)9-11)27-10-17(25)23-14-4-2-1-3-12(14)18(26)22-8-7-16(21)24/h1-6,9H,7-8,10H2,(H2,21,24)(H,22,26)(H,23,25).
What are the key properties of N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide has a molecular weight of 438.25 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 56516276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).