N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide

C16H14BrNO3 — CID 61033195

IUPACN-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide
SMILESCOc1ccc(C(=O)c2ccc(N(C)C=O)cc2)cc1Br
InChIInChI=1S/C16H14BrNO3/c1-18(10-19)13-6-3-11(4-7-13)16(20)12-5-8-15(21-2)14(17)9-12/h3-10H,1-2H3
InChIKeyXTICUMZWIONATQ-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.28
Rot. Bonds5

About N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide

N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide (PubChem CID 61033195) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide
PubChem CID61033195
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC NameN-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide
SMILESCOc1ccc(C(=O)c2ccc(N(C)C=O)cc2)cc1Br
InChIInChI=1S/C16H14BrNO3/c1-18(10-19)13-6-3-11(4-7-13)16(20)12-5-8-15(21-2)14(17)9-12/h3-10H,1-2H3
InChIKeyXTICUMZWIONATQ-UHFFFAOYSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 43339877
3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
CID 63750525
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964
3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106935938
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993
methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate
CID 115190454
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
CID 170985664

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide (CID 61033195) is N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide is COc1ccc(C(=O)c2ccc(N(C)C=O)cc2)cc1Br.
What is the InChIKey of N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide?
The InChIKey is XTICUMZWIONATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-18(10-19)13-6-3-11(4-7-13)16(20)12-5-8-15(21-2)14(17)9-12/h3-10H,1-2H3.
What are the key properties of N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide?
N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide has a molecular weight of 348.20 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide is sourced from PubChem (CID 61033195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).