2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide

C15H17BrClNO — CID 103621937

IUPAC2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cc(Cl)ccc1Br)C1CCCC1
InChIInChI=1S/C15H17BrClNO/c1-2-9-18(12-5-3-4-6-12)15(19)13-10-11(17)7-8-14(13)16/h2,7-8,10,12H,1,3-6,9H2
InChIKeyURAUVIHCQHJNBI-UHFFFAOYSA-N
MW342.66 g/mol
LogP4.67
Rot. Bonds4

About 2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide

2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide (PubChem CID 103621937) has the molecular formula C15H17BrClNO and a molecular weight of 342.66 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide
PubChem CID103621937
Molecular FormulaC15H17BrClNO
Molecular Weight342.66 g/mol
Exact Mass341.02
IUPAC Name2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cc(Cl)ccc1Br)C1CCCC1
InChIInChI=1S/C15H17BrClNO/c1-2-9-18(12-5-3-4-6-12)15(19)13-10-11(17)7-8-14(13)16/h2,7-8,10,12H,1,3-6,9H2
InChIKeyURAUVIHCQHJNBI-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.66
LogP ≤ 54.67
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

2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
CID 79719350
2-[(2-bromo-5-chlorobenzoyl)-prop-2-enylamino]acetic acid
CID 106703905
2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 103853497
5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide
CID 61062387
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
CID 63213492
2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide
CID 106854213
N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide
CID 105380891
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 61108767
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide?
The IUPAC name of 2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide (CID 103621937) is 2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cc(Cl)ccc1Br)C1CCCC1.
What is the InChIKey of 2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide?
The InChIKey is URAUVIHCQHJNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO/c1-2-9-18(12-5-3-4-6-12)15(19)13-10-11(17)7-8-14(13)16/h2,7-8,10,12H,1,3-6,9H2.
What are the key properties of 2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide?
2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide has a molecular weight of 342.66 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 103621937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).