3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide

C18H19BrClNO2 — CID 99876162

IUPAC3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide
SMILESCO[C@H](CNC(=O)CCc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C18H19BrClNO2/c1-23-17(14-7-3-5-9-16(14)20)12-21-18(22)11-10-13-6-2-4-8-15(13)19/h2-9,17H,10-12H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyBSFFQZGKXRGJCX-QGZVFWFLSA-N
MW396.71 g/mol
LogP4.54
Rot. Bonds7

About 3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide

3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide (PubChem CID 99876162) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide
PubChem CID99876162
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC Name3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide
SMILESCO[C@H](CNC(=O)CCc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C18H19BrClNO2/c1-23-17(14-7-3-5-9-16(14)20)12-21-18(22)11-10-13-6-2-4-8-15(13)19/h2-9,17H,10-12H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyBSFFQZGKXRGJCX-QGZVFWFLSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
CID 90623820
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 90623823
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313
3-(2-fluorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 97417764
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654083
4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99876156
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide
CID 99876096
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide (CID 99876162) is 3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide is CO[C@H](CNC(=O)CCc1ccccc1Br)c1ccccc1Cl.
What is the InChIKey of 3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide?
The InChIKey is BSFFQZGKXRGJCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c1-23-17(14-7-3-5-9-16(14)20)12-21-18(22)11-10-13-6-2-4-8-15(13)19/h2-9,17H,10-12H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of 3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide?
3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide has a molecular weight of 396.71 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide is sourced from PubChem (CID 99876162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).