(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide

C18H20BrNO3 — CID 94843875

IUPAC(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrNO3/c1-12(14-4-8-16(22-3)9-5-14)20-18(21)13(2)23-17-10-6-15(19)7-11-17/h4-13H,1-3H3,(H,20,21)/t12-,13-/m0/s1
InChIKeyOVDWQTLNIRPHOI-STQMWFEESA-N
MW378.27 g/mol
LogP4.10
Rot. Bonds6

About (2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide

(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 94843875) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID94843875
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrNO3/c1-12(14-4-8-16(22-3)9-5-14)20-18(21)13(2)23-17-10-6-15(19)7-11-17/h4-13H,1-3H3,(H,20,21)/t12-,13-/m0/s1
InChIKeyOVDWQTLNIRPHOI-STQMWFEESA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 92538260
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132666166
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006
(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 7786780
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671742
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671745
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide (CID 94843875) is (2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is OVDWQTLNIRPHOI-STQMWFEESA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-12(14-4-8-16(22-3)9-5-14)20-18(21)13(2)23-17-10-6-15(19)7-11-17/h4-13H,1-3H3,(H,20,21)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide?
(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 378.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 94843875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).