N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide

C16H20BrNO — CID 11565999

IUPACN-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide
SMILESCC(Br)C(=O)N(Cc1ccccc1)C1=CCCCC1
InChIInChI=1S/C16H20BrNO/c1-13(17)16(19)18(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-10,13H,3,6-7,11-12H2,1H3
InChIKeyRTFZBZBDQFGKNO-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.26
Rot. Bonds4

About N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide

N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide (PubChem CID 11565999) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide
PubChem CID11565999
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide
SMILESCC(Br)C(=O)N(Cc1ccccc1)C1=CCCCC1
InChIInChI=1S/C16H20BrNO/c1-13(17)16(19)18(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-10,13H,3,6-7,11-12H2,1H3
InChIKeyRTFZBZBDQFGKNO-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide
CID 100995756
methyl 3-[benzyl(cyclohexen-1-yl)amino]-2,2-dichloro-3-oxopropanoate
CID 15892212
N-(cyclohexen-1-yl)-N-methyl-2-phenylacetamide
CID 15816334
benzyl 2-[cyclohexen-1-yl(methyl)amino]-4-methylpentanoate
CID 57212324
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide
CID 101200162
N,N-dibenzylcycloheptene-1-carboxamide
CID 101069096
(2R)-N-benzyl-2-bromo-N-phenylbutanamide
CID 93477428
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 81223051
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
3-(dibenzylamino)-4-methylhexane-2,5-dione
CID 135163861

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide?
The IUPAC name of N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide (CID 11565999) is N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide.
What is the SMILES notation for N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide?
The canonical SMILES for N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide is CC(Br)C(=O)N(Cc1ccccc1)C1=CCCCC1.
What is the InChIKey of N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide?
The InChIKey is RTFZBZBDQFGKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-13(17)16(19)18(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-10,13H,3,6-7,11-12H2,1H3.
What are the key properties of N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide?
N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide has a molecular weight of 322.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide is sourced from PubChem (CID 11565999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).