N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide

C18H20BrNO2 — CID 28558276

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C18H20BrNO2/c1-4-22-17-10-7-15(11-12(17)2)18(21)20-13(3)14-5-8-16(19)9-6-14/h5-11,13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyLRBLRGMBUKTLCV-ZDUSSCGKSA-N
MW362.27 g/mol
LogP4.65
Rot. Bonds5

About N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide

N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide (PubChem CID 28558276) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
PubChem CID28558276
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C18H20BrNO2/c1-4-22-17-10-7-15(11-12(17)2)18(21)20-13(3)14-5-8-16(19)9-6-14/h5-11,13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyLRBLRGMBUKTLCV-ZDUSSCGKSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558297
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
4-ethoxy-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190984
4-ethoxy-3-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 133209826
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287
3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide (CID 28558276) is N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide?
The InChIKey is LRBLRGMBUKTLCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-4-22-17-10-7-15(11-12(17)2)18(21)20-13(3)14-5-8-16(19)9-6-14/h5-11,13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide has a molecular weight of 362.27 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 28558276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).