N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide

C16H15BrClNO2 — CID 4981350

IUPACN-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NCc1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-11(21-15-8-7-13(18)9-14(15)17)16(20)19-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyCNYQERGGVULWAN-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.19
Rot. Bonds5

About N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide

N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide (PubChem CID 4981350) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
PubChem CID4981350
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC NameN-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NCc1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-11(21-15-8-7-13(18)9-14(15)17)16(20)19-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyCNYQERGGVULWAN-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide
CID 47204993
2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43417581
N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
CID 60571534
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81065118
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
N-(benzylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 5188319
1-benzyl-3-[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]thiourea
CID 7010205
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
2-(2-bromo-4-chlorophenoxy)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide
CID 55664257
4-[2-[2-(2-bromo-4-chlorophenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4981485

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide?
The IUPAC name of N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide (CID 4981350) is N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide.
What is the SMILES notation for N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide?
The canonical SMILES for N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide?
The InChIKey is CNYQERGGVULWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-11(21-15-8-7-13(18)9-14(15)17)16(20)19-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide?
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide has a molecular weight of 368.66 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide is sourced from PubChem (CID 4981350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).