N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide

C18H20BrNO — CID 60700309

IUPACN-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO/c1-13-4-3-5-15(12-13)6-11-18(21)20-14(2)16-7-9-17(19)10-8-16/h3-5,7-10,12,14H,6,11H2,1-2H3,(H,20,21)
InChIKeyKQTXWORIIARSDU-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.57
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide

N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide (PubChem CID 60700309) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
PubChem CID60700309
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO/c1-13-4-3-5-15(12-13)6-11-18(21)20-14(2)16-7-9-17(19)10-8-16/h3-5,7-10,12,14H,6,11H2,1-2H3,(H,20,21)
InChIKeyKQTXWORIIARSDU-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 115341637
3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51276671
N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide
CID 113276046
3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855882
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 114300070
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide (CID 60700309) is N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NC(C)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide?
The InChIKey is KQTXWORIIARSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-13-4-3-5-15(12-13)6-11-18(21)20-14(2)16-7-9-17(19)10-8-16/h3-5,7-10,12,14H,6,11H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide?
N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide has a molecular weight of 346.27 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 60700309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).