N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide

C17H18BrNO2 — CID 838500

IUPACN-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H18BrNO2/c1-21-16-10-8-13(9-11-16)4-2-7-17(20)19-15-6-3-5-14(18)12-15/h3,5-6,8-12H,2,4,7H2,1H3,(H,19,20)
InChIKeyBSDJFAZXWSSMRK-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.42
Rot. Bonds6

About N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide

N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide (PubChem CID 838500) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
PubChem CID838500
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H18BrNO2/c1-21-16-10-8-13(9-11-16)4-2-7-17(20)19-15-6-3-5-14(18)12-15/h3,5-6,8-12H,2,4,7H2,1H3,(H,19,20)
InChIKeyBSDJFAZXWSSMRK-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N-(3-bromophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086503
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
2-[[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]methylsulfanyl]acetic acid
CID 119240560
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
CID 7688847
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide (CID 838500) is N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide is COc1ccc(CCCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide?
The InChIKey is BSDJFAZXWSSMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-21-16-10-8-13(9-11-16)4-2-7-17(20)19-15-6-3-5-14(18)12-15/h3,5-6,8-12H,2,4,7H2,1H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide?
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide has a molecular weight of 348.24 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 838500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).