2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide

C19H22BrNO4 — CID 71907641

IUPAC2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide
SMILESCOc1ccc(C(O)C(C)NC(=O)C(C)Oc2ccccc2Br)cc1
InChIInChI=1S/C19H22BrNO4/c1-12(18(22)14-8-10-15(24-3)11-9-14)21-19(23)13(2)25-17-7-5-4-6-16(17)20/h4-13,18,22H,1-3H3,(H,21,23)
InChIKeyRLRZGINTRINDLV-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.46
Rot. Bonds7

About 2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide

2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide (PubChem CID 71907641) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide
PubChem CID71907641
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide
SMILESCOc1ccc(C(O)C(C)NC(=O)C(C)Oc2ccccc2Br)cc1
InChIInChI=1S/C19H22BrNO4/c1-12(18(22)14-8-10-15(24-3)11-9-14)21-19(23)13(2)25-17-7-5-4-6-16(17)20/h4-13,18,22H,1-3H3,(H,21,23)
InChIKeyRLRZGINTRINDLV-UHFFFAOYSA-N
XLogP3.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 55503834
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633959
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633960
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
(2R)-2-[2-(2-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 119368498
2-[2-(2-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 119170475
(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94843875
3-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119221619
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006
2-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119224224
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
CID 93487722

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide (CID 71907641) is 2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide is COc1ccc(C(O)C(C)NC(=O)C(C)Oc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide?
The InChIKey is RLRZGINTRINDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-12(18(22)14-8-10-15(24-3)11-9-14)21-19(23)13(2)25-17-7-5-4-6-16(17)20/h4-13,18,22H,1-3H3,(H,21,23).
What are the key properties of 2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide?
2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide has a molecular weight of 408.29 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 71907641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).