N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide

C16H14BrNO4 — CID 168650887

IUPACN-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide
SMILESCOc1cc(NC=O)c(C(=O)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C16H14BrNO4/c1-21-14-7-12(13(18-9-19)8-15(14)22-2)16(20)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19)
InChIKeyQKDRDTQEBBRORZ-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide

N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide (PubChem CID 168650887) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide
PubChem CID168650887
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC NameN-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide
SMILESCOc1cc(NC=O)c(C(=O)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C16H14BrNO4/c1-21-14-7-12(13(18-9-19)8-15(14)22-2)16(20)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19)
InChIKeyQKDRDTQEBBRORZ-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]acetic acid
CID 10833560
N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide
CID 165346221
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
N-(4-acetyl-2-methoxyphenyl)formamide
CID 145382079
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
2-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]-1-(diaminomethylidene)guanidine
CID 168602205
[4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone
CID 154112052
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
4-(4-bromobenzoyl)-3-methoxybenzenesulfonic acid
CID 139945454
methyl 4-bromo-3-formamidobenzoate
CID 122687075
N-[2-(4-bromobenzoyl)-5-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]formamide
CID 18434191

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide (CID 168650887) is N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide is COc1cc(NC=O)c(C(=O)c2ccc(Br)cc2)cc1OC.
What is the InChIKey of N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide?
The InChIKey is QKDRDTQEBBRORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-21-14-7-12(13(18-9-19)8-15(14)22-2)16(20)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide?
N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide has a molecular weight of 364.20 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide is sourced from PubChem (CID 168650887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).