N-(4-bromo-2-cyano-3-methoxyphenyl)formamide

C9H7BrN2O2 — CID 168651551

IUPACN-(4-bromo-2-cyano-3-methoxyphenyl)formamide
SMILESCOc1c(Br)ccc(NC=O)c1C#N
InChIInChI=1S/C9H7BrN2O2/c1-14-9-6(4-11)8(12-5-13)3-2-7(9)10/h2-3,5H,1H3,(H,12,13)
InChIKeyNZQURVRTMWFFAS-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.90
Rot. Bonds3

About N-(4-bromo-2-cyano-3-methoxyphenyl)formamide

N-(4-bromo-2-cyano-3-methoxyphenyl)formamide (PubChem CID 168651551) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is N-(4-bromo-2-cyano-3-methoxyphenyl)formamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyano-3-methoxyphenyl)formamide
PubChem CID168651551
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC NameN-(4-bromo-2-cyano-3-methoxyphenyl)formamide
SMILESCOc1c(Br)ccc(NC=O)c1C#N
InChIInChI=1S/C9H7BrN2O2/c1-14-9-6(4-11)8(12-5-13)3-2-7(9)10/h2-3,5H,1H3,(H,12,13)
InChIKeyNZQURVRTMWFFAS-UHFFFAOYSA-N
XLogP1.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-methoxy-3-methylphenyl)formamide
CID 168654128
4-bromo-2-cyano-3-methoxybenzenesulfonyl chloride
CID 131404648
2-amino-6-bromo-3-methoxybenzonitrile
CID 82013372
N-(3-methoxy-2,4-dimethylphenyl)formamide
CID 64992554
6-azido-3-bromo-2-methoxybenzonitrile
CID 169326524
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
N-(4-bromo-1H-indazol-7-yl)formamide
CID 168653221
N-(3-fluoro-2,4-dimethoxyphenyl)formamide
CID 168651681
methyl 3-bromo-2-cyano-6-formylbenzoate
CID 131497508
6-(cyanomethylamino)-2,3-dimethoxybenzonitrile
CID 102169202
6-bromo-4-fluoro-2,3-dimethoxybenzonitrile
CID 117403749
4-bromo-3-hydroxy-2-methoxybenzonitrile
CID 117328110

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyano-3-methoxyphenyl)formamide?
The IUPAC name of N-(4-bromo-2-cyano-3-methoxyphenyl)formamide (CID 168651551) is N-(4-bromo-2-cyano-3-methoxyphenyl)formamide.
What is the SMILES notation for N-(4-bromo-2-cyano-3-methoxyphenyl)formamide?
The canonical SMILES for N-(4-bromo-2-cyano-3-methoxyphenyl)formamide is COc1c(Br)ccc(NC=O)c1C#N.
What is the InChIKey of N-(4-bromo-2-cyano-3-methoxyphenyl)formamide?
The InChIKey is NZQURVRTMWFFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-9-6(4-11)8(12-5-13)3-2-7(9)10/h2-3,5H,1H3,(H,12,13).
What are the key properties of N-(4-bromo-2-cyano-3-methoxyphenyl)formamide?
N-(4-bromo-2-cyano-3-methoxyphenyl)formamide has a molecular weight of 255.07 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyano-3-methoxyphenyl)formamide is sourced from PubChem (CID 168651551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).