bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide

C18H20BrNO2 — CID 164875324

IUPACbromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide
SMILESC/C=C\c1cccc(OCc2ccccc2)c1NC=O.CBr
InChIInChI=1S/C17H17NO2.CH3Br/c1-2-7-15-10-6-11-16(17(15)18-13-19)20-12-14-8-4-3-5-9-14;1-2/h2-11,13H,12H2,1H3,(H,18,19);1H3/b7-2-;
InChIKeyDHQPYVXFKHPSKK-YMWUIOJXSA-N
MW362.27 g/mol
LogP4.88
Rot. Bonds6

About bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide

bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide (PubChem CID 164875324) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide.

Molecular Properties

Compound Namebromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide
PubChem CID164875324
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Namebromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide
SMILESC/C=C\c1cccc(OCc2ccccc2)c1NC=O.CBr
InChIInChI=1S/C17H17NO2.CH3Br/c1-2-7-15-10-6-11-16(17(15)18-13-19)20-12-14-8-4-3-5-9-14;1-2/h2-11,13H,12H2,1H3,(H,18,19);1H3/b7-2-;
InChIKeyDHQPYVXFKHPSKK-YMWUIOJXSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]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

2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine
CID 76943625
1-ethyl-4-methyl-2-phenylmethoxy-5-[(Z)-prop-1-enyl]benzene
CID 143534725
2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine
CID 105348895
2-phenylmethoxy-3-prop-1-enylbenzoic acid
CID 71318162
methyl 3,5-dibromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 18973794
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
2-phenylmethoxy-1-propan-2-yl-3-[(E)-prop-1-enyl]benzene
CID 168954401
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate
CID 89249565
N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 139602210
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485

Frequently Asked Questions

What is the IUPAC name of bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide?
The IUPAC name of bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide (CID 164875324) is bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide.
What is the SMILES notation for bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide?
The canonical SMILES for bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide is C/C=C\c1cccc(OCc2ccccc2)c1NC=O.CBr.
What is the InChIKey of bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide?
The InChIKey is DHQPYVXFKHPSKK-YMWUIOJXSA-N. The full InChI is InChI=1S/C17H17NO2.CH3Br/c1-2-7-15-10-6-11-16(17(15)18-13-19)20-12-14-8-4-3-5-9-14;1-2/h2-11,13H,12H2,1H3,(H,18,19);1H3/b7-2-;.
What are the key properties of bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide?
bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide has a molecular weight of 362.27 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide is sourced from PubChem (CID 164875324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).