N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide

C10H12BrNO2 — CID 87434130

IUPACN-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide
SMILESCOc1cc(CCNC=O)ccc1Br
InChIInChI=1S/C10H12BrNO2/c1-14-10-6-8(2-3-9(10)11)4-5-12-7-13/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyZUDPFJIIAMREQV-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.75
Rot. Bonds5

About N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide

N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide (PubChem CID 87434130) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide
PubChem CID87434130
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC NameN-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide
SMILESCOc1cc(CCNC=O)ccc1Br
InChIInChI=1S/C10H12BrNO2/c1-14-10-6-8(2-3-9(10)11)4-5-12-7-13/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyZUDPFJIIAMREQV-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide
CID 54765059
1-bromo-4-but-3-enyl-2-methoxybenzene
CID 175669569
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]propyl]formamide
CID 108891394
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
2-(4-bromo-3-methoxyphenyl)ethanimine
CID 123266236
[2-amino-5-(2-formamidoethyl)phenyl] carbamate
CID 123171973
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
[4-(2-formamidoethyl)-2-hydroxyphenyl] formate
CID 88543683
N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide
CID 21263051
N-[(2-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 2163807
N-(2-naphthalen-2-ylethyl)formamide
CID 12581518
N-[2-[4,5-dimethoxy-2-(pyridin-4-ylmethyl)phenyl]ethyl]formamide
CID 155395768

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide?
The IUPAC name of N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide (CID 87434130) is N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide.
What is the SMILES notation for N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide?
The canonical SMILES for N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide is COc1cc(CCNC=O)ccc1Br.
What is the InChIKey of N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide?
The InChIKey is ZUDPFJIIAMREQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-14-10-6-8(2-3-9(10)11)4-5-12-7-13/h2-3,6-7H,4-5H2,1H3,(H,12,13).
What are the key properties of N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide?
N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide has a molecular weight of 258.11 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide is sourced from PubChem (CID 87434130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).