N-[(4-bromophenyl)methyl]prop-2-enamide

C10H10BrNO — CID 57251115

IUPACN-[(4-bromophenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO/c1-2-10(13)12-7-8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13)
InChIKeyDXNWOQPYTAASAH-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.25
Rot. Bonds3

About N-[(4-bromophenyl)methyl]prop-2-enamide

N-[(4-bromophenyl)methyl]prop-2-enamide (PubChem CID 57251115) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]prop-2-enamide
PubChem CID57251115
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC NameN-[(4-bromophenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO/c1-2-10(13)12-7-8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13)
InChIKeyDXNWOQPYTAASAH-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide
CID 688145
N-Benzylacrylamide
CID 139428
N-Benzylacetamide
CID 11500
3-bromo-N-propylbenzamide
CID 3118655
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
N-benzyl-2-bromoacetamide
CID 145664
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
n-Benzyl-4-bromobenzamide
CID 781117
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
N-Benzylcrotonamide
CID 2313079
N-(2-bromobenzyl)acetamide
CID 2824953
4-Bromo-N-methylbenzamide
CID 186113

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]prop-2-enamide?
The IUPAC name of N-[(4-bromophenyl)methyl]prop-2-enamide (CID 57251115) is N-[(4-bromophenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]prop-2-enamide is C=CC(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]prop-2-enamide?
The InChIKey is DXNWOQPYTAASAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-2-10(13)12-7-8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13).
What are the key properties of N-[(4-bromophenyl)methyl]prop-2-enamide?
N-[(4-bromophenyl)methyl]prop-2-enamide has a molecular weight of 240.10 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 57251115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).