2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide

C18H20BrNO3 — CID 18192757

IUPAC2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1cccc(Br)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H20BrNO3/c1-3-17(13-7-9-15(22-2)10-8-13)20-18(21)12-23-16-6-4-5-14(19)11-16/h4-11,17H,3,12H2,1-2H3,(H,20,21)
InChIKeySQQHPNUMQVHOBN-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.10
Rot. Bonds7

About 2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide

2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 18192757) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
PubChem CID18192757
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1cccc(Br)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H20BrNO3/c1-3-17(13-7-9-15(22-2)10-8-13)20-18(21)12-23-16-6-4-5-14(19)11-16/h4-11,17H,3,12H2,1-2H3,(H,20,21)
InChIKeySQQHPNUMQVHOBN-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide
CID 8802046
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28958551
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 40662016
3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide
CID 24547680
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616234
2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133184316
2-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid
CID 43387178

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide (CID 18192757) is 2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide is CCC(NC(=O)COc1cccc(Br)c1)c1ccc(OC)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is SQQHPNUMQVHOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-3-17(13-7-9-15(22-2)10-8-13)20-18(21)12-23-16-6-4-5-14(19)11-16/h4-11,17H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide?
2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 378.27 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 18192757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).