N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide

C17H15BrClNO3 — CID 108797043

IUPACN-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H15BrClNO3/c1-23-16-7-5-12(19)10-14(16)15(21)6-8-17(22)20-13-4-2-3-11(18)9-13/h2-5,7,9-10H,6,8H2,1H3,(H,20,22)
InChIKeyYRYFPSAMMUNYSQ-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.71
Rot. Bonds6

About N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide

N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide (PubChem CID 108797043) has the molecular formula C17H15BrClNO3 and a molecular weight of 396.67 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
PubChem CID108797043
Molecular FormulaC17H15BrClNO3
Molecular Weight396.67 g/mol
Exact Mass394.99
IUPAC NameN-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H15BrClNO3/c1-23-16-7-5-12(19)10-14(16)15(21)6-8-17(22)20-13-4-2-3-11(18)9-13/h2-5,7,9-10H,6,8H2,1H3,(H,20,22)
InChIKeyYRYFPSAMMUNYSQ-UHFFFAOYSA-N
XLogP4.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide
CID 108808249
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738388
methyl 3-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoate
CID 108745871
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide
CID 108808280
4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
CID 108797023
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide (CID 108797043) is N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide?
The InChIKey is YRYFPSAMMUNYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3/c1-23-16-7-5-12(19)10-14(16)15(21)6-8-17(22)20-13-4-2-3-11(18)9-13/h2-5,7,9-10H,6,8H2,1H3,(H,20,22).
What are the key properties of N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide?
N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide has a molecular weight of 396.67 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 108797043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).