N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide

C18H19BrN2O4 — CID 60579665

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C18H19BrN2O4/c1-11(2)25-16-9-12(19)3-8-15(16)18(23)21-13-4-6-14(7-5-13)24-10-17(20)22/h3-9,11H,10H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyOVGIASPSKJGUPQ-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.35
Rot. Bonds7

About N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide (PubChem CID 60579665) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide
PubChem CID60579665
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C18H19BrN2O4/c1-11(2)25-16-9-12(19)3-8-15(16)18(23)21-13-4-6-14(7-5-13)24-10-17(20)22/h3-9,11H,10H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyOVGIASPSKJGUPQ-UHFFFAOYSA-N
XLogP3.35
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide
CID 17051555
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide
CID 120504701
2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
CID 114370108
4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide
CID 111433738
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 60956273
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide
CID 17231426
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide
CID 107019834
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide (CID 60579665) is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide is CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide?
The InChIKey is OVGIASPSKJGUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-11(2)25-16-9-12(19)3-8-15(16)18(23)21-13-4-6-14(7-5-13)24-10-17(20)22/h3-9,11H,10H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide has a molecular weight of 407.26 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide is sourced from PubChem (CID 60579665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).