3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide

C14H16BrNO — CID 104851837

IUPAC3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H16BrNO/c1-4-6-16(7-5-2)14(17)12-8-11(3)9-13(15)10-12/h4-5,8-10H,1-2,6-7H2,3H3
InChIKeyBHKVDKUUWKGGIX-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.57
Rot. Bonds5

About 3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide

3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide (PubChem CID 104851837) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide
PubChem CID104851837
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H16BrNO/c1-4-6-16(7-5-2)14(17)12-8-11(3)9-13(15)10-12/h4-5,8-10H,1-2,6-7H2,3H3
InChIKeyBHKVDKUUWKGGIX-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
3-bromo-N-ethyl-5-methyl-N-propylbenzamide
CID 104851893
1-(3-bromo-5-methylphenyl)prop-2-en-1-one
CID 114982463
2-[(3-bromo-5-methylbenzoyl)-propylamino]acetic acid
CID 104850711
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
CID 104852714
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
CID 104952959
3-bromo-N-methoxy-N,5-dimethylbenzamide
CID 89425186
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide (CID 104851837) is 3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is BHKVDKUUWKGGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-4-6-16(7-5-2)14(17)12-8-11(3)9-13(15)10-12/h4-5,8-10H,1-2,6-7H2,3H3.
What are the key properties of 3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide?
3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 294.19 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 104851837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).